sequence
stringlengths
7
2.52k
sequence_source
stringclasses
3 values
uniprot
stringlengths
6
10
reaction_smiles
stringlengths
2
1.95k
value
float64
0
1M
reaction_mw_diff_perc
float64
0
10M
temperature
float64
0
105
ph
float64
1
11.5
ec
stringlengths
7
17
taxonomy_id
float64
17
2.88M
log10_value
float64
-6
6
reactant_smiles
stringlengths
1
1.95k
product_smiles
stringlengths
1
844
log10kcat_max
float64
-6
6
group
stringlengths
13
2.88k
sequence_40cluster
int64
0
3.87k
sequence_60cluster
int64
0
5.37k
sequence_80cluster
int64
0
6.32k
sequence_99cluster
int64
0
7.09k
pdbname
stringlengths
21
29
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTF...
uniprot_search
P34913
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)O.O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.O=P(O)(O)O
1.85
0
30
7.2
3.1.3.76
9,606
0.267172
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)O.O
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.O=P(O)(O)O
0.267172
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)O.O__MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFP...
1,061
626
6,278
1,627
AF-P34913-F1-model_v4.pdb
MKLKTVRSAVLSSLFASQVLGKIIPAANKRDDDSNSKFVKLPFHKLYGDSLENVGSDKKPEVRLLKRADGYEEIIITNQQSFYSVDLEVGTPPQNVTVLVDTGSSDLWIMGSDNPYCSSNSMGSSRRRVIDKRDDSSSGGSLINDINPFGWLTGTGSAIGPTATGLGGGSGTATQSVPASEATMDCQQYGTFSTSGSSTFRSNNTYFSISYGDGTFASGTFGTDVLDLSDLNVTGLSFAVANETNSTMGVLGIGLPELEVTYSGSTASHSGKAYKYDNFPIVLKNSGAIKSNTYSLYLNDSDAMHGTILFGAVDHSKYTG...
sabio
P32329
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N.O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)...
49.4
31.948849
37
4
3.4.23.41
4,932
1.693727
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N.O
CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O
1.693727
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N.O__MKLKTVRSAVLSSLFASQVLGKIIPAANKRDDDSNSKFVKLPFHKLYGDSLENVGSDKKPEVRLLKRADGYEEIIITNQQSFYSVDLEVGTPPQNVTVLV...
998
530
180
194
AF-P32329-F1-model_v4.pdb
MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQR...
brenda
P00509
N[C@@H](CS)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C([O-])C(=O)CS
40.64
0.188584
30
7.4
2.6.1.1
562
1.608954
N[C@@H](CS)C(=O)O.O=C(O)CCC(=O)C(=O)O
N[C@@H](CCC(=O)O)C(=O)O.O=C([O-])C(=O)CS
1.608954
N[C@@H](CS)C(=O)O.O=C(O)CCC(=O)C(=O)O__MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRA...
1,291
3,839
6,155
806
AF-P00509-F1-model_v4.pdb
MQRRDFLKYSVALGVASALPLWSRAVFAAERPTLPIPDLLTTDARNRIQLTIGAGQSTFGGKTATTWGYNGNLLGPAVKLQRGKAVTVDIYNQLTEETTLHWHGLEVPGEVDGGPQGIIPPGGKRSVTLNVDQPAATCWFHPHQHGKTGRQVAMGLAGLVVIEDDEILKLMLPKQWGIDDVPVIVQDKKFSADGQIDYQLDVMTAAVGWFGDTLLTNGAIYPQHAAPRGWLRLRLLNGCNARSLNFATSDNRPLYVIASDGGLLPEPVKVSELPVLMGERFEVLVEVNDNKPFDLVTLPVSQMGMAIAPFDKPHPVMRIQ...
sabio
P36649
COc1cccc(OC)c1O.O=O>>O
1,791
81.952256
30
5.5
1.10.3.2
562
3.253096
COc1cccc(OC)c1O.O=O
O
3.253096
COc1cccc(OC)c1O.O=O__MQRRDFLKYSVALGVASALPLWSRAVFAAERPTLPIPDLLTTDARNRIQLTIGAGQSTFGGKTATTWGYNGNLLGPAVKLQRGKAVTVDIYNQLTEETTLHWHGLEVPGEVDGGPQGIIPPGGKRSVTLNVDQPAATCWFHPHQHGKTGRQVAMGLAGLVVIEDDEILKLMLPKQWGIDDVPVIVQDKKFSADGQIDYQLDVMTAAVGWFGDTLLTNGAIYPQHAAPRGWLRLRLLNGCNARSLNFATSDNRPLYVIASDGGLLPEPVKVSELPVLMGERFEVLVEVNDNKPFDLVTLP...
3,416
2,300
1,007
2,902
AF-P36649-F1-model_v4.pdb
MKQASAIPQPKTYGPLKNLPHLEKEQLSQSLWRIADELGPIFRFDFPGVSSVFVSGHNLVAEVCDEKRFDKNLGKGLQKVREFGGDGLFTSWTHEPNWQKAHRILLPSFSQKAMKGYHSMMLDIATQLIQKWSRLNPNEEIDVADDMTRLTLDTIGLCGFNYRFNSFYRDSQHPFITSMLRALKEAMNQSKRLGLQDKMMVKTKLQFQKDIEVMNSLVDRMIAERKANPDENIKDLLSLMLYAKDPVTGETLDDENIRYQIITFLIAGHETTSGLLSFAIYCLLTHPEKLKKAQEEADRVLTDDTPEYKQIQQLKYIRMV...
sabio
O08336
CC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O
125,700
15.149311
30
7.4
1.14.14.1
1,423
5.099335
CC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]
NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O
5.099335
CC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]__MKQASAIPQPKTYGPLKNLPHLEKEQLSQSLWRIADELGPIFRFDFPGVSSVFVSGHNLVAEVCDEKRFDKNLGKGLQKVREFGGDGLFTSWTHEPNWQKAHRILLPSFSQKAMKGYHSMMLDIATQLIQKWSRLNPNEEIDVADDMTRLTLDTIGLCGFNYRFNSFYRDSQHPFITSMLRALKEAMNQSKRLGLQ...
1,826
1,506
3,080
1,840
AF-O08336-F1-model_v4.pdb
MQCAVLLVLLGVVAASPIIPEAARALYYNDGMFEGDIKLRAGRQPARVGAAILGDEYLWSGGVIPYTFAGVSGADQSAILSGMQELEEKTCIRFVPRTTESDYVEIFTSGSGCWSYVGRISGAQQVSLQANGCVYHGTIIHELMHAIGFYHEHTRMDRDNYVTINYQNVDPSMTSNFDIDTYSRYVGEDYQYYSIMHYGKYSFSIQWGVLETIVPLQNGIDLTDPYDKAHMLQTDANQINNLYTNECSLRH
uniprot_search
P07584
CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=NCC(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(O)=NCC(=O)O.CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O
130
0
25
6
3.4.24.21
6,715
2.113943
CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=NCC(=O)O.O
CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(O)=NCC(=O)O.CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O
2.113943
CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=NCC(=O)O.O__MQCAVLLVLLGVVAASPIIPEAARALYYNDGMFEGDIKLRAGRQPARVGAAILGDEYLWSGGVIPYTFAGVSGADQSAILSGMQELEEKTCIRFVPRTTESDYVEIFTSGSGCWSYVGRISGAQQVSLQANGCVYHGTIIHELMHAIGFYHEHTRMDRDNYVT...
1,871
1,575
3,165
1,936
AF-P07584-F1-model_v4.pdb
MSEYITLSLDEVCALSYQVLTRHGLSDAHARAIAEVITQGQRDECHSHGVYRLLGCVRSVREGRIDPRAEPSLRHVSPGVLEVDAHYGYSLLGFHTGLPILAEKARSQGIAAMVIKRCFHFSALWPEVEAIADYGLVGMAMNPSHSWVAPAGGRQPVFGTNPLAFAWPRPGGQPFVFDFATSAIARGDIELHARQGKPIPEHWAIDADGQPTTDAKAALQGAMQTFGGHKGSALAAMIELLAGALIGDLTSAESMAFDGGVGATPCHGELVLAFDPRVFLGEGYEQGLERAEGLFAAIARQGARLPSQRRFAARARSLEH...
sabio
Q4KGT8
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C1CCCN1
20
0
25
7.6
1.5.1.49
294
1.30103
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]
NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C1CCCN1
1.30103
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]__MSEYITLSLDEVCALSYQVLTRHGLSDAHARAIAEVITQGQRDECHSHGVYRLLGCVRSVREGRIDPRAEPSLRHVSPGVLEVDAHYGYSLLGFHTGLPILAEKARSQGIAAMVIKRCFHFSALWPEVEAIADYGLVGMAMNPSHSWVAPAGGRQPVFGTNPLAFAWPRPGGQPFVFDFATSAIARGDIELHARQGKPIPEHWAIDADG...
2,567
5,024
2,119
4,984
AF-Q4KGT8-F1-model_v4.pdb
MDFPCLWLGLLLPLVAALDFNYHRQEGMEAFLKTVAQNYSSVTHLHSIGKSVKGRNLWVLVVGRFPKEHRIGIPEFKYVANMHGDETVGRELLLHLIDYLVTSDGKDPEITNLINSTRIHIMPSMNPDGFEAVKKPDCYYSIGRENYNQYDLNRNFPDAFEYNNVSRQPETVAVMKWLKTETFVLSANLHGGALVASYPFDNGVQATGALYSRSLTPDDDVFQYLAHTYASRNPNMKKGDECKNKMNFPNGVTNGYSWYPLQGGMQDYNYIWAQCFEITLELSCCKYPREEKLPSFWNNNKASLIEYIKQVHLGVKGQVF...
sabio
P14384
O>>CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O.NCCCCC(N)C(=O)O
39,780
94.98834
37
7
3.4.17.12
9,606
4.599665
O
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O.NCCCCC(N)C(=O)O
4.599665
O__MDFPCLWLGLLLPLVAALDFNYHRQEGMEAFLKTVAQNYSSVTHLHSIGKSVKGRNLWVLVVGRFPKEHRIGIPEFKYVANMHGDETVGRELLLHLIDYLVTSDGKDPEITNLINSTRIHIMPSMNPDGFEAVKKPDCYYSIGRENYNQYDLNRNFPDAFEYNNVSRQPETVAVMKWLKTETFVLSANLHGGALVASYPFDNGVQATGALYSRSLTPDDDVFQYLAHTYASRNPNMKKGDECKNKMNFPNGVTNGYSWYPLQGGMQDYNYIWAQCFEITLELSCCKYPREEKLPSFWNNNKASLIEYIKQVHLGVKG...
1,855
1,549
3,131
1,898
AF-P14384-F1-model_v4.pdb
MSKAFDLVIIGAGSGGLEAGWNAATLYKKRVAVVDVQTVHGPPFFAALGGTCVNVGCVPKKLMVTGAQYMDQLRESAGFGWEFDASTIKANWKTLIAAKNAAVLDINKSYEDMFKDTEGLEFFLGWGALEQKNVVTVREGADPKSKVKERLQAEHIIIATGSWPQMLKIPGIEHCISSNEAFYLEEPPRRVLTVGGGFISVEFAGIFNAYKPVGGKVTLCYRNNPILRGFDYTLRQELTKQLVANGIDIMTNENPSKIELNPDGSKHVTFESGKTLDVDVVMMAIGRLPRTGYLQLQTVGVNLTDKGAIQVDEFSRTNVP...
uniprot_search
P13110
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(CCC(O)=NC1CSSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(O)=NCCCCCCCCN=C(O)CN=C1O)C(=O)O.[H+]>>
83.3
99.931894
35
7.2
1.8.1.12
5,692
1.920645
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(CCC(O)=NC1CSSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(O)=NCCCCCCCCN=C(O)CN=C1O)C(=O)O.[H+]
null
1.920645
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(CCC(O)=NC1CSSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(O)=NCCCCCCCCN=C(O)CN=C1O)C(=O)O.[H+]__MSKAFDLVIIGAGSGGLEAGWNAATLYKKRVAVVDVQTVHGPPFFAALGGTCVNVGCVPKKLMVTGAQYMDQLRESAGFGWEFDASTIKANWKTLIAAKNAAVLDINK...
3,758
4,538
4,467
4,355
AF-P13110-F1-model_v4.pdb
MTDIAQLLGKDADNLLQHRCMTIPSDQLYLPGHDYVDRVMIDNNRPPAVLRNMQTLYNTGRLAGTGYLSILPVDQGVEHSAGASFAANPLYFDPKNIVELAIEAGCNCVASTYGVLASVSRRYAHRIPFLVKLNHNETLSYPNTYDQTLYASVEQAFNMGAVAVGATIYFGSEESRRQIEEISAAFERAHELGMVTVLWAYLRNSAFKKDGVDYHVSADLTGQANHLAATIGADIVKQKMAENNGGYKAINYGYTDDRVYSKLTSENPIDLVRYQLANCYMGRAGLINSGGAAGGETDLSDAVRTAVINKRAGGMGLILG...
sabio
P0A991
O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O
11,400
0
30
8
4.1.2.13
562
4.056905
O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O
4.056905
O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O__MTDIAQLLGKDADNLLQHRCMTIPSDQLYLPGHDYVDRVMIDNNRPPAVLRNMQTLYNTGRLAGTGYLSILPVDQGVEHSAGASFAANPLYFDPKNIVELAIEAGCNCVASTYGVLASVSRRYAHRIPFLVKLNHNETLSYPNTYDQTLYASVEQAFNMGAVAVGATIYFGSEESRRQIEEISAAFERAHELGMVTVLWAYLRNSAFKKDGVDYHVSADLTGQANHLAATIGADIVKQKMAENNGGYKAINYGYTDDRVYSKLTSENPIDLVRYQLANCY...
786
214
5,960
6,881
AF-P0A991-F1-model_v4.pdb
MNKGLHRKRLSKRLLLPMLLCLLAQQTQAVAAEQTKVSDVCSEVTAEGWQEVRRWDKLFESAGVKGSLLLWDQKRSLGLSNNLSRAAEGFIPASTFKLPSSLIALETGAVRDETSRFSWDGKVREIAVWNRDQSFRTAMKYSVVPVYQQLAREIGPKVMAAMVRQLEYGNQDIGGQADSFWLDGQLRITAFQQVDFLRQLHDNKLPVSERSQRIVKQMMLTEASTDYIIRAKTGYGVRRTPAIGWWVGWLELDDNTVYFAVNLDLASASQLPLRQQLVKQVLKQEQLLP
brenda
Q6VCW0
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@@H]12)c1csc(=N)[nH]1.O>>
0.1
99.812595
30
7
3.5.2.6
38,313
-1
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@@H]12)c1csc(=N)[nH]1.O
null
-1
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@@H]12)c1csc(=N)[nH]1.O__MNKGLHRKRLSKRLLLPMLLCLLAQQTQAVAAEQTKVSDVCSEVTAEGWQEVRRWDKLFESAGVKGSLLLWDQKRSLGLSNNLSRAAEGFIPASTFKLPSSLIALETGAVRDETSRFSWDGKVREIAVWNRDQSFRTAMKYSVVPVYQQLAREIGPKVMAAMVRQLEYGNQDIGGQADSFWLDGQLRITAFQQVDFLRQLHDNKLPVSERSQRIVKQMMLTEASTDYIIR...
1,244
973
780
1,086
AF-Q6VCW0-F1-model_v4.pdb
MKIFHVPCLQDNYSYLIIDESTGDAAVVDPVDPEKVIASAEKHQAKIKFVLTTHHHWDHAGGNEKIKQLVPDIKVYGGSLDKVKGCTDAVDNGDKLTLGQDINILALHTPCHTKGHISYYVNGKEGENPAVFTGDTLFVAGCGKFFEGTAEQMYQSLCVTLAALPKPTQVYCGHEYTVKNLEFALTVEPNNGKIQQKLAWARQQRQADLPTIPSTLEEELETNPFMRVDKPEIQEKLGCKSPIDTMREVRNKKDQWRG
sabio
O24496
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.O>>CC(O)C(=O)O.NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O
466
0
37
7.1
3.1.2.6
3,702
2.668386
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.O
CC(O)C(=O)O.NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O
3.594393
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.O__MKIFHVPCLQDNYSYLIIDESTGDAAVVDPVDPEKVIASAEKHQAKIKFVLTTHHHWDHAGGNEKIKQLVPDIKVYGGSLDKVKGCTDAVDNGDKLTLGQDINILALHTPCHTKGHISYYVNGKEGENPAVFTGDTLFVAGCGKFFEGTAEQMYQSLCVTLAALPKPTQVYCGHEYTVKNLEFALTVEPNNGKIQQKLAWARQQRQADLPTIPSTLEEELETNPFMRVDKPEIQEKLGCKSPIDTMREVRNKKDQWRG
3,083
1,841
3,469
2,277
AF-O24496-F1-model_v4.pdb
MSQPDATPFDYILSGGTVIDGTNAPGRLADVGVRGDRIAAVGDLSASSARRRIDVAGKVVSPGFIDSHTHDDNYLLKHRDMTPKISQGVTTVVTGNCGISLAPLAHANPPAPLDLLDEGGSFRFARFSDYLEALRAAPPAVNAACMVGHSTLRAAVMPDLRREATADEIQAMQALADDALASGAIGISTGAFYPPAAHASTEEIIEVCRPLITHGGVYATHMRDEGEHIVQALEETFRIGRELDVPVVISHHKVMGKLNFGRSKETLALIEAAMASQDVSLDAYPYVAGSTMLKQDRVLLAGRTLITWCKPYPELSGRDL...
brenda
Q9AGH8
CSCC[C@@H](N=C(C)O)C(=O)O.O>>CC(=O)O.CSCC[C@@H](N)C(=O)O
438
0
30
7
3.5.1.81
511
2.641474
CSCC[C@@H](N=C(C)O)C(=O)O.O
CC(=O)O.CSCC[C@@H](N)C(=O)O
2.641474
CSCC[C@@H](N=C(C)O)C(=O)O.O__MSQPDATPFDYILSGGTVIDGTNAPGRLADVGVRGDRIAAVGDLSASSARRRIDVAGKVVSPGFIDSHTHDDNYLLKHRDMTPKISQGVTTVVTGNCGISLAPLAHANPPAPLDLLDEGGSFRFARFSDYLEALRAAPPAVNAACMVGHSTLRAAVMPDLRREATADEIQAMQALADDALASGAIGISTGAFYPPAAHASTEEIIEVCRPLITHGGVYATHMRDEGEHIVQALEETFRIGRELDVPVVISHHKVMGKLNFGRSKETLALIEAAMASQDVSLDAYPYVAGST...
3,597
3,566
1,349
3,306
AF-Q9AGH8-F1-model_v4.pdb
MALLSQAGGAYTVPSGHVSSRTGTKTVSGCVNVLRMKETYVSSYSRTLSTKSMLKRSKRGHQLIVAASPPTEEAVVATEPLTREDLIAYLASGCKSKEKWRIGTEHEKFGFEVNTLRPMKYDQIAELLNSIAERFEWEKVMEGDKIIGLKQGKQSISLEPGGQFELSGAPLETLHQTCAEVNSHLYQVKAVAEEMGIGFLGMGFQPKWRREDIPTMPKGRYDIMRNYMPKVGSLGLDMMLRTCTVQVNLDFSSEADMIRKFRAGLALQPIATALFANSPFTEGKPNGFLSMRSHIWTDTDKDRTGMLPFVFDDSFGFEQY...
brenda
O23736
N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCC(O)=N[C@@H](CS)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O
10,190
0
30
7.5
6.3.2.2
3,707
4.008174
N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
N[C@@H](CCC(O)=N[C@@H](CS)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O
4.008174
N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MALLSQAGGAYTVPSGHVSSRTGTKTVSGCVNVLRMKETYVSSYSRTLSTKSMLKRSKRGHQLIVAASPPTEEAVVATEPLTREDLIAYLASGCKSKEKWRIGTEHEKFGFEVNTLRPMKYDQIAELLNSIAERFEWEKVMEGDKIIGLKQGKQSISLEPGGQFELSGAPLETLHQTCAEVNSHLYQVKAVAEEMGIGFLGM...
2,758
5,307
2,571
5,394
AF-O23736-F1-model_v4.pdb
MGTDTVMSGRVRKDLSKTNPNGNIPENRSNSRKKIQRRSKKTLICPVQKLFDTCKKVFADGKSGTVPSQENIEMLRAVLDEIKPEDVGVNPKMSYFRSTVTGRSPLVTYLHIYACHRFSICIFCLPPSGVIPLHNHPEMTVFSKLLFGTMHIKSYDWVPDSPQPSSDTRLAKVKVDSDFTAPCDTSILYPADGGNMHCFTAKTACAVLDVIGPPYSDPAGRHCTYYFDYPFSSFSVDGVVVAEEEKEGYAWLKEREEKPEDLTVTALMYSGPTIKE
sabio
Q8LGJ5
NC(CS)C(=O)O.O=O>>NC(C[SH](=O)=O)C(=O)O
1.98
0
25
8
1.13.11.20
3,702
0.296665
NC(CS)C(=O)O.O=O
NC(C[SH](=O)=O)C(=O)O
0.4843
NC(CS)C(=O)O.O=O__MGTDTVMSGRVRKDLSKTNPNGNIPENRSNSRKKIQRRSKKTLICPVQKLFDTCKKVFADGKSGTVPSQENIEMLRAVLDEIKPEDVGVNPKMSYFRSTVTGRSPLVTYLHIYACHRFSICIFCLPPSGVIPLHNHPEMTVFSKLLFGTMHIKSYDWVPDSPQPSSDTRLAKVKVDSDFTAPCDTSILYPADGGNMHCFTAKTACAVLDVIGPPYSDPAGRHCTYYFDYPFSSFSVDGVVVAEEEKEGYAWLKEREEKPEDLTVTALMYSGPTIKE
2,677
3,766
2,338
5,234
AF-Q8LGJ5-F1-model_v4.pdb
MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNLYGSGHSAGAMTAWAWGVARIIDALEKTPAAGIDPTRVGVTGCSRNGKGAMVAGAL...
brenda
A0A1D8EJG8
O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.OCc1ccccc1
0.79
0
35
6
3.1.1.117
398,408
-0.102373
O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.OCc1ccccc1
-0.102373
O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O__MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNL...
3,536
3,474
5,113
5,974
AF-A0A1D8EJG8-F1-model_v4.pdb
MEPGSKSVSRSDWQPEPHQRPITPLEPGPEKTPIAQPESKTLQGSNTQQKPASNQRPLTQQETPAQHDAESQKEPRAQQKSASQEEFLAPQKPAPQQSPYIQRVLLTQQEAASQQGPGLGKESITQQEPALRQRHVAQPGPGPGEPPPAQQEAESTPAAQAKPGAKREPSAPTESTSQETPEQSDKQTTPVQGAKSKQGSLTELGFLTKLQELSIQRSALEWKALSEWVTDSESESDVGSSSDTDSPATMGGMVAQGVKLGFKGKSGYKVMSGYSGTSPHEKTSARNHRHYQDTASRLIHNMDLRTMTQSLVTLAEDNIA...
sabio
Q05469
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O>>CCCC(=O)O.CCCC(=O)OCC(CO)OC(=O)CCC
18
0
25
7
3.1.1.1
9,606
1.255273
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O
CCCC(=O)O.CCCC(=O)OCC(CO)OC(=O)CCC
1.255273
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O__MEPGSKSVSRSDWQPEPHQRPITPLEPGPEKTPIAQPESKTLQGSNTQQKPASNQRPLTQQETPAQHDAESQKEPRAQQKSASQEEFLAPQKPAPQQSPYIQRVLLTQQEAASQQGPGLGKESITQQEPALRQRHVAQPGPGPGEPPPAQQEAESTPAAQAKPGAKREPSAPTESTSQETPEQSDKQTTPVQGAKSKQGSLTELGFLTKLQELSIQRSALEWKALSEWVTDSESESDVGSSSDTDSPATMGGMVAQGVKLGFKGKSGYKVMSGYSGTSPHEKTS...
1,214
3,019
548
626
AF-Q05469-F1-model_v4.pdb
MSENPPTLFSAYKMGNFNLSHRVVLAPMTRCRAINAIPNEALVEYYRQRSTAGGFLITEGTMISPSSAGFPHVPGIFTKEQVEGWKKVVDAAHKEGAVIFCQLWHVGRASHQVYQPGGAAPISSTSKPISKKWEILLPDATYGTYPEPRPLAANEILEVVEDYRVAAINAIEAGFDGIEIHGAHGYLLDQFMKDGINDRTDEYGGSLENRCKFILQVVQAVSAAIATDRVLIRISPAIDHTDAMDSDPRSLGLAVIERLNKLQFKLGSRLAYLHVTQPRYTADGHGQTEAGANGSEEEVAQLMKTWRGAYVGTFICCGGY...
brenda
C5H429
C=C(C=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]21.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H...
2.6
0
30
7.5
1.3.1.92
35,608
0.414973
C=C(C=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]21.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
0.414973
C=C(C=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]21.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]__MSENPPTLFSAYKMGNFNLSHRVVLAPMTRCRAINAIPNEALVEYYRQRSTAGGFLITEGTMISPSSAGFPHVPGIFTKEQVEGWKKVVDAAHKEGAVIFCQLWHVGRASHQVYQPGGAAPISSTSKPISKKWEILL...
3,576
687
371
421
AF-C5H429-F1-model_v4.pdb
MSNDHLETTGSSDPNTNLLKYLPIVLNPDRTITRPIQIPSTAASPDPTSSSPVLTKDLALNPLHNTFVRLFLPRHALYNSAKLPLVVYFHGGGFILFSAASTIFHDFCCEMAVHAGVVIASVDYRLAPEHRLPAAYDDAMEALQWIKDSRDEWLTNFADFSNCFIMGESAGGNIAYHAGLRAAAVADELLPLKIKGLVLDEPGFGGSKRTGSELRLANDSRLPTFVLDLIWELSLPMGADRDHEYCNPTAESEPLYSFDKIRSLGWRVMVVGCHGDPMIDRQMELAERLEKKGVDVVAQFDVGGYHAVKLEDPEKAKQFF...
brenda
Q0ZPV7
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O>>CCCCCCC(=O)[O-].Cc1cc(=O)oc2cc(O)ccc12
2
0.164516
25
8
3.1.1.1
165,200
0.30103
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O
CCCCCCC(=O)[O-].Cc1cc(=O)oc2cc(O)ccc12
0.30103
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O__MSNDHLETTGSSDPNTNLLKYLPIVLNPDRTITRPIQIPSTAASPDPTSSSPVLTKDLALNPLHNTFVRLFLPRHALYNSAKLPLVVYFHGGGFILFSAASTIFHDFCCEMAVHAGVVIASVDYRLAPEHRLPAAYDDAMEALQWIKDSRDEWLTNFADFSNCFIMGESAGGNIAYHAGLRAAAVADELLPLKIKGLVLDEPGFGGSKRTGSELRLANDSRLPTFVLDLIWELSLPMGADRDHEYCNPTAESEPLYSFDKIRSLGWRVMVVGCHGDPMIDRQM...
1,504
1,054
880
1,213
AF-Q0ZPV7-F1-model_v4.pdb
MRRFLLLYATQQGQAKAIAEEICEQAVVHGFSADLHCISESDKYDLKTETAPLVVVVSTTGTGDPPDTARKFVKEIQNQTLPVDFFAHLRYGLLGLGDSEYTYFCNGGKIIDKRLQELGARHFYDTGHADDCVGLELVVEPWIAGLWPALRKHFRSSRGQEEISGALPVASPASSRTDLVKSELLHIESQVELLRFDDSGRKDSEVLKQNAVNSNQSNVVIEDFESSLTRSVPPLSQASLNIPGLPPEYLQVHLQESLGQEESQVSVTSADPVFQVPISKAVQLTTNDAIKTTLLVELDISNTDFSYQPGDAFSVICPNS...
brenda
Q9UBK8
CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
0.86
10,000,000
24.25
7.5
1.16.1.8
9,606
-0.065502
CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
-0.065502
CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O__MRRFLLLYATQQGQAKAIAEEICEQAVVHGFSADLHCISESDKYDLKTETAPLVVVVSTTGTGDPPDTARKFVKEIQNQTLPVDFFAHLRYGLLGLGDSEYTYFCNGGKIIDKRLQ...
1,583
1,164
3,009
1,358
AF-Q9UBK8-F1-model_v4.pdb
MLRRVAVAAVFATGRKLRCEAGRDVTAVGRIEARGLCEESAKPFPTLTMPGRNKAKSTCSCPDLQPNGQDLGESGRVARLGADESEEEGRSLSNVGDPEIIKSPSDPKQYRYIKLQNGLQALLISDLSNVEGKTGNATDEEEEEEEEEEEGEEEEEEEEDDDDDDDEDSGAEIQDDDEEGFDDEEEFDDDEHDDDDLDNEENELEELEERVEARKKTTEKQSAAALCVGVGSFADPDDLPGLAHFLEHMVFMGSLKYPDENGFDAFLKKHGGSDNASTDCERTVFQFDVQRKYFKEALDRWAQFFIHPLMIRDAIDREVE...
uniprot_search
P47245
CC(C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1cccc...
0.187
0.682415
37
8.13
3.4.24.61
10,116
-0.728158
CC(C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O
CC(C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
-0.728158
CC(C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O__MLRRVAVAAVFATGRKLRCEAGRDVTAVGRIEARGLCEESAKPFPTLTMPGRNKAKSTCSCPDLQPNGQDLGESGRVARLGADESEEEGRSLSNVGDPEIIKSPSDPKQYRYIKLQNGLQ...
1,860
1,498
3,070
1,910
AF-P47245-F1-model_v4.pdb
ATDIRQVVDSTVEPLMQQQDIAGLSVAVIQNGKAQYFNYGVANKDSKQPITENTLFEIGSVSKTFTATLAGYALANGKLKLSDPASQYLPALRGDKFDHISLLNLGTYTAGGLPLQFPEESDNTGKMISYYQHWKPAFAPGTQRLYSNPSIGLFGHLAAQSLGQPFEKLMEQTVLPKLGLKHTFISVPETQMSLYAQGYDKAGKPVRVSPGALDAEAYGIKTSTSDLIHYVEVNMHPAKLEKPLQQAIAATHTGYYTVDGMTQGLGWEMYPYPIKVDALVEGNSTQMAMEPHKVNWLTPPQAAPLDTLVNKTGSTGGFGA...
brenda
P85302
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1.O>>
31
99.727082
30
7
3.5.2.6
294
1.491362
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1.O
null
1.491362
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1.O__ATDIRQVVDSTVEPLMQQQDIAGLSVAVIQNGKAQYFNYGVANKDSKQPITENTLFEIGSVSKTFTATLAGYALANGKLKLSDPASQYLPALRGDKFDHISLLNLGTYTAGGLPLQFPEESDNTGKMISYYQHWKPAFAPGTQRLYSNPSIGLFGHLAAQSLGQPFEKLMEQTVLPKLGLKHTFISVPETQMSLYAQGYDKAGKPVRVSPGALDAEAYGIKTSTSDLIHYVEVNMHPAKLEKPLQQAIAATHTGYYT...
1,456
1,901
3,538
2,361
AF-P85302-F1-model_v4.pdb
MTIPDEVDIIICGGGSSGCVPAGRLANLDPSLSVLLIEAGEDNLNNPWVYRPGIYPRNMKLDSKTASFYYSRPSEHLDGRRAIVPCANILGGGSSINFMMYTRASASDYDDFQAEGWKTKDLVPLMRKHETYQRACNNRELHGFDGPIKVSFGNYTYPIMRDFLRAAESQDIPITDDLQDLKTGHGAEHWLKWINRDTGRRSDAAHAYVHSTRAKQSNLHLKCNTKVDKVIIENGRAVGVATVPSKPLDGHDPPRKIFRARKQIIISSGTLSSPLILQRSGIGDPEKLRAAGIRPLMNLPGVGRNFQDHYLTFSVFRAKP...
brenda
I7FDJ2
COc1ccc(CO)cc1OC.O=O>>COc1ccc(C=O)cc1OC.OO
105.7
0
30
6
1.1.3.7
33,178
2.024075
COc1ccc(CO)cc1OC.O=O
COc1ccc(C=O)cc1OC.OO
2.024075
COc1ccc(CO)cc1OC.O=O__MTIPDEVDIIICGGGSSGCVPAGRLANLDPSLSVLLIEAGEDNLNNPWVYRPGIYPRNMKLDSKTASFYYSRPSEHLDGRRAIVPCANILGGGSSINFMMYTRASASDYDDFQAEGWKTKDLVPLMRKHETYQRACNNRELHGFDGPIKVSFGNYTYPIMRDFLRAAESQDIPITDDLQDLKTGHGAEHWLKWINRDTGRRSDAAHAYVHSTRAKQSNLHLKCNTKVDKVIIENGRAVGVATVPSKPLDGHDPPRKIFRARKQIIISSGTLSSPLILQRSGIGDPEKLRAAGIRPLMN...
3,563
3,416
1,295
3,246
AF-I7FDJ2-F1-model_v4.pdb
MASVHGTTYELLRRQGIDTVFGNPGSNELPFLKDFPEDFRYILALQEACVVGIADGYAQASRKPAFINLHSAAGTGNAMGALSNAWNSHSPLIVTAGQQTRAMIGVEALLTNVDAANLPRPLVKWSYEPASAAEVPHAMSRAIHMASMAPQGPVYLSVPYDDWDKDADPQSHHLFDRHVSSSVRLNDQDLDILVKALNSASNPAIVLGPDVDAANANADCVMLAERLKAPVWVAPSAPRCPFPTRHPCFRGLMPAGIAAISQLLEGHDVVLVIGAPVFRYHQYDPGQYLKPGTRLISVTCDPLEAARAPMGDAIVADIGA...
brenda
P20906
CCCCC(=O)C(=O)O>>CCCCC=O.O=C=O
21
0
30
6
4.1.1.7
303
1.322219
CCCCC(=O)C(=O)O
CCCCC=O.O=C=O
1.322219
CCCCC(=O)C(=O)O__MASVHGTTYELLRRQGIDTVFGNPGSNELPFLKDFPEDFRYILALQEACVVGIADGYAQASRKPAFINLHSAAGTGNAMGALSNAWNSHSPLIVTAGQQTRAMIGVEALLTNVDAANLPRPLVKWSYEPASAAEVPHAMSRAIHMASMAPQGPVYLSVPYDDWDKDADPQSHHLFDRHVSSSVRLNDQDLDILVKALNSASNPAIVLGPDVDAANANADCVMLAERLKAPVWVAPSAPRCPFPTRHPCFRGLMPAGIAAISQLLEGHDVVLVIGAPVFRYHQYDPGQYLKPGTRLISVTCDPL...
1,249
3,066
603
691
AF-P20906-F1-model_v4.pdb
MKKKQSIKKNYGQYLPLYNLGQLKSSITPFFGGDIKTDHHHYLLEPTTENDLYANHMSRNIIFTIDDEMYFLNGNTYLQQNDELQVEYDLLYQRVVRSNTLFSIESLSFIPLHDNLELLEVTIKNTSNKNLTLDVITAIPIYARSADNIRDHRHVTSLLNKVEINEQTVLVKPTLSFDERGHHLNHEAYTVSAYSPTTKVNRIITSLEDFIDGGSFNFPKGIYRKDFEPKPGYEVIGAIGFEPFILKPEETATFNISMGIFNQNEDALHIINKYKTKKSVEEAFKHMRNYFEAESSKLSISMVNKDVELLLRWVRFQPVL...
brenda
A9NG65
O=P(O)(O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
6.5
0
40
7.5
2.4.1.31
2,148
0.812913
O=P(O)(O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
0.812913
O=P(O)(O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O__MKKKQSIKKNYGQYLPLYNLGQLKSSITPFFGGDIKTDHHHYLLEPTTENDLYANHMSRNIIFTIDDEMYFLNGNTYLQQNDELQVEYDLLYQRVVRSNTLFSIESLSFIPLHDNLELLEVTIKNTSNKNLTLDVITAIPIYARSADNIRDHRHVTSLLNKVEINEQTVLVKPTLSFDERGHHLNHEAYTVSAYSPTTKVNRIITSLEDFIDGGSFNFPKGIYRKDF...
768
193
5,933
6,850
AF-A9NG65-F1-model_v4.pdb
MATIKLNSGYEMPQVGFGCWKVNNDTCADQIYNAIKVGYRLFDGAEDYGNEKEVGDGIKRAIDEGLVARDELFVVSKLWNNFHHPDNVEKALDRTLSDLKVDYLDLFLIHFPIAFKFVPFDEKYPPGFYCGDGDKFIYEDVPLLSTWKKLEEMVKKGKVRSIGISNFCGGLIQDLLRGAEIPPAVLQIEHHPYLQQPRLVKWVQSKGIAITAYSSFGPQSFVELDHPKVDNCVTLFKHEDIVSIAENHKKSTAQVLLRWATQRGLAVIPKSNQTERLVANLTVNDFDLTNEEIETISKLDVGLRFNDPWDWDEIPTFV
uniprot_search
A0A1L0DQY1
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC(O)[C@@H](O)[C@H]...
8.2
0
25
7
1.1.1.307
45,354
0.913814
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.[H+]
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC(O)[C@@H](O)[C@H](O)[C@@H](O)CO
0.913814
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.[H+]__MATIKLNSGYEMPQVGFGCWKVNNDTCADQIYNAIKVGYRLFDGAEDYGNEKEVGDGIKRAIDEGLVARDELFVVSKLWNNFHHPDNVEKALDRTLSDLKVDYLDLFLIHFPIAFKFVPFDEKYPPGFYCGDGDKFIYEDVPLLSTWK...
1,329
4,592
3,699
2,553
AF-A0A1L0DQY1-F1-model_v4.pdb
MQGKPRIAVIGAGLGGTAGAALMARAGFNVRLYEQAPAFSRLGAGIHLGPNVMKIMRRIGIEDELNRQGSHPDYWYSRDWQSGAELARIPLGDYAVSHYGATYLTVHRGDFHALMTAALPAGLLQFNKRLTRVDEDDDVVRLHFADGSVEEAEIVIGADGVNSRLREHLLGAELPKYTGYVAHRAVFPTPLDSGSLPFDMCVKWWSDDRHMMVYFVTGKRDEIYYVTGVPEQQWDMGKSWVPSSKAEMRAAFAGWHPTVQALIEATPEVSKWPLLERDPLPLWSRGRIVLLGDACHPMKPHMAQGAAMAIEDAAMLTRIF...
sabio
A0A0H3LKL4
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)c1ccc(O)nc1.O=O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C=O.Oc1ccc(O)nc1
5.1
0
25
null
1.14.13.114
518
0.70757
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)c1ccc(O)nc1.O=O.[H]
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C=O.Oc1ccc(O)nc1
0.70757
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)c1ccc(O)nc1.O=O.[H]__MQGKPRIAVIGAGLGGTAGAALMARAGFNVRLYEQAPAFSRLGAGIHLGPNVMKIMRRIGIEDELNRQGSHPDYWYSRDWQSGAELARIPLGDYAVSHYGATYLTVHRGDFHALMTAALPAGLLQFNKRLTRVDEDDDVVRLHFADGSVEEAEIVIGADGVNSRLREHLLGAELPKYTGYVAHRAVFPTPLDSGSLPFDMCVKWWSDDRHM...
2,252
4,503
2,071
4,931
AF-A0A0H3LKL4-F1-model_v4.pdb
MSRTWIRNPLAIFTANGLDAAGGLVVEDGRIVELLGAGQQPAQPCASQFDASRHVVLPGLVNTHHHFYQTLTRAWAPVVNQPLFPWLKTLYPVWARLTPEKLELATKVALAELLLSGCTTAADHHYLFPGGLEQAIDVQAGVVEELGMRAMLTRGSMSLGEKDGGLPPQQTVQEAETILADSERLIARYHQRGDGARVQIALAPCSPFSVTPEIMRASAEVAARHDVRLHTHLAETLDEEDFCLQRFGLRTVDYLDSVGWLGPRTWLAHGIHFNAEEIRRLGEAGTGICHCPSSNMRLASGICPTVELEAAGAPIGLGVD...
brenda
Q9I6Z0
N=c1nc(O)cc[nH]1.O>>
3.9
99.231473
30
7.6
3.5.4.32
287
0.591065
N=c1nc(O)cc[nH]1.O
null
0.591065
N=c1nc(O)cc[nH]1.O__MSRTWIRNPLAIFTANGLDAAGGLVVEDGRIVELLGAGQQPAQPCASQFDASRHVVLPGLVNTHHHFYQTLTRAWAPVVNQPLFPWLKTLYPVWARLTPEKLELATKVALAELLLSGCTTAADHHYLFPGGLEQAIDVQAGVVEELGMRAMLTRGSMSLGEKDGGLPPQQTVQEAETILADSERLIARYHQRGDGARVQIALAPCSPFSVTPEIMRASAEVAARHDVRLHTHLAETLDEEDFCLQRFGLRTVDYLDSVGWLGPRTWLAHGIHFNAEEIRRLGEAGTGICHCPSSNMRLAS...
2,462
4,883
4,953
4,807
AF-Q9I6Z0-F1-model_v4.pdb
MKGSRIELGDVTPHNIKQLKRLNQVIFPVSYNDKFYKDVLEVGELAKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLKVPSGQNADVQKTDN
brenda
Q9GZZ1
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CCSC)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C...
0.11
0
37
8.5
2.3.1.258
9,606
-0.958607
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CCSC)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCSC)N=C(C)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O
-0.958607
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CCSC)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O__MKGSRIELGDVTPHNIKQLKRLNQVIFPVSYNDKFY...
1,519
1,073
901
1,236
AF-Q9GZZ1-F1-model_v4.pdb
MAHVITRINAREILDSRGNPTVEVDLETNLGIFRAAVPSGASTGIYEALELRDNDKSRYLGKGVQKAIKNINEIIAPKLIGMNCTEQKKIDNLMVEELDGSKNEWGWSKSKLGANAILAISMAVCRAGAAPNKVSLYKYLAQLAGKKSDQMVLPVPCLNVINGGSHAGNKLSFQEFMIVPVGAPSFKEALRYGAEVYHTLKSEIKKKYGIDATNVGDEGGFAPNILNANEALDLLVTAIKSAGYEGKVKIAMDVAASEFYNSENKTYDLDFKTPNNDKSLVKTGAQLVDLYIDLVKKYPIVSIEDPFDQDDWENYAKLTA...
uniprot_search
Q27727
O=C(O)[C@@H](CO)OP(=O)(O)O>>C=C(OP(=O)(O)O)C(=O)O.O
20.6
0
37
5
4.2.1.11
5,833
1.313867
O=C(O)[C@@H](CO)OP(=O)(O)O
C=C(OP(=O)(O)O)C(=O)O.O
1.346353
O=C(O)[C@@H](CO)OP(=O)(O)O__MAHVITRINAREILDSRGNPTVEVDLETNLGIFRAAVPSGASTGIYEALELRDNDKSRYLGKGVQKAIKNINEIIAPKLIGMNCTEQKKIDNLMVEELDGSKNEWGWSKSKLGANAILAISMAVCRAGAAPNKVSLYKYLAQLAGKKSDQMVLPVPCLNVINGGSHAGNKLSFQEFMIVPVGAPSFKEALRYGAEVYHTLKSEIKKKYGIDATNVGDEGGFAPNILNANEALDLLVTAIKSAGYEGKVKIAMDVAASEFYNSENKTYDLDFKTPNNDKSLVKTGAQLVDLYI...
606
36
5,743
6,645
AF-Q27727-F1-model_v4.pdb
MKEEVKGIPVRVALRCRPLVSKEIKEGCQTCLSFVPGEPQVVVGNDKSFTYDFVFDPSTEQEEVFNTAVAPLIKGVFKGYNATVLAYGQTGSGKTYSMGGAYTAEQEHDSAIGVIPRVIQLLFKEINKKSDFEFTLKVSYLEIYNEEILDLLCSSREKATQINIREDPKEGIKIVGLTEKTVLVASDTVSCLEQGNNSRTVASTAMNSQSSRSHAIFTISIEQRKKNDKNSSFRSKLHLVDLAGSERQKKTKAEGDRLREGININRGLLCLGNVISALGDDKKGNFVPYRDSKLTRLLQDSLGGNSHTLMIACVSPADSN...
brenda
P33174
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O
42.1
0
25
6.7
5.6.1.3
10,090
1.624282
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O
1.624282
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O__MKEEVKGIPVRVALRCRPLVSKEIKEGCQTCLSFVPGEPQVVVGNDKSFTYDFVFDPSTEQEEVFNTAVAPLIKGVFKGYNATVLAYGQTGSGKTYSMGGAYTAEQEHDSAIGVIPRVIQLLFKEINKKSDFEFTLKVSYLEIYNEEILDLLCSSREKATQINIREDPKEGIKIVGLTEKTVLVASDTVSCLEQGNNSRTVASTAMNSQSSRSHAIFTISIEQRKKNDKNSSFRSKLHLVDL...
115
2,604
2,903
5,751
AF-P33174-F1-model_v4.pdb
MLSGNTIAAPAQPPIAAKKPHRVTFGYVEGEDRGPNPMNPPRYREDPYFWMRDDNRKDPAVIEHLNKEKAYFQARSADIAQLRDDIYTEHISHIKEDDMSAPYVYGKYRYYTREVKGKSYKIYCRVSKDKEPGDVAAEEVIIDVNQVVEGKPFCDVMEVKPAPPEHDLVAFSVDMSGNEVYTIEFKRISDPCQTIADKVSGTNGEIVWGPDQTSLFYVTKDETLRDNKVWRHVMGKPQSEDVCLYEENNPLFSAFMYKAADTNTLCIGSQSPETAEVHLLDLRRGNAHNTLEIVRPREKGVRYDVQMHGTSHLVILTNEG...
brenda
C9EF60
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)c3ccccc3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)c1ccccc1)C(=O)O
4,250
0
25
8
3.4.21.83
5,661
3.628389
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)c3ccccc3)ccc12.O
Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)c1ccccc1)C(=O)O
3.628389
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)c3ccccc3)ccc12.O__MLSGNTIAAPAQPPIAAKKPHRVTFGYVEGEDRGPNPMNPPRYREDPYFWMRDDNRKDPAVIEHLNKEKAYFQARSADIAQLRDDIYTEHISHIKEDDMSAPYVYGKYRYYTREVKGKSYKIYCRVSKDKEPGDVAAEEVIIDVNQVVEGKPFCDVMEVKPAPPEHDLVAFSVDMSGNEVYTIEFKRISDPCQTIADKVSGTNGEIVWGPDQTSLFYVTKDETLRDNKVWRHVM...
2,916
1,636
1,929
3,762
AF-C9EF60-F1-model_v4.pdb
MESETLTAKATITTTTLPSHDETKTESTEFEKNQKRYQDLISTFPHEKGWRPKEPLIEYGGYWWLPSLLEGCIHAQEFFQARPSDFLVCSYPKTGTTWLKALTFAIANRSRFDDSSNPLLKRNPHEFVPYIEIDFPFFPEVDVLKDKGNTLFSTHIPYELLPDSVVKSGCKMVYIWREPKDTFISMWTFLHKERTELGPVSNLEESFDMFCRGLSGYGPYLNHILAYWKAYQENPDRILFLKYETMRADPLPYVKSLAEFMGHGFTAEEEEKGVVEKVVNLCSFETLKNLEANKGEKDREDRPGVYANSAYFRKGKVGDW...
brenda
Q9C9C9
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O=S(=O)(O)O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0.0355
0
30
9
2.8.2.38
3,702
-1.449772
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O=S(=O)(O)O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
-1.449772
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O__MESETLTAKATITTTTLPSHDETKTESTEFEKNQKRYQDLISTFPHEKGWRPKEPLIEYGGYWWLPSLLEGCIHAQEFFQARPSDFLVCSYPKTGTTWLKALTFAIANRSRFDDSSNPLLKRNPHEFVPYIEIDFPFFPEVDVLKDKGNTLFSTHIPYELLPDSVVKSGCKMVYIWREPKDT...
3,538
2,658
2,959
5,808
AF-Q9C9C9-F1-model_v4.pdb
MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA
brenda
P00492
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1>>O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)OP(=O)(O)O
2.9
0
22
7.4
2.4.2.8
9,606
0.462398
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)OP(=O)(O)O
0.462398
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1__MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA
2,463
4,884
4,954
4,808
AF-P00492-F1-model_v4.pdb
GIASPYAPMGVATPVDGGYILNGRWSFSSGTDHCDWVMIGAAVGDKDGNRLNPPQSLHVLLPRSDYRIDHDSWNVVGLRGTGSKDLIVENAFLPEYRTLRAERVMGGVAWQDAGRDETLYKFPFSCIFPLGITSSLIGIAEGALNCYIESQRERVTVSGTAIKQDPYVLSNLGDAAAEIAASRAALLETVDRFWDLTERGIRGHLRATRDRTPDPGRRGHGGPCAPSNEIFFAGRRAGALQLSNPLQRFWRDAHAGLSHAIHVPGSIFHAATLTQLGEEPQGMNAGR
brenda
Q6QF57
O=O.Oc1ccccc1O>>O=C/C=C\C=C(\O)C(=O)O
15
0
80
null
1.13.11.39
103,816
1.176091
O=O.Oc1ccccc1O
O=C/C=C\C=C(\O)C(=O)O
1.176091
O=O.Oc1ccccc1O__GIASPYAPMGVATPVDGGYILNGRWSFSSGTDHCDWVMIGAAVGDKDGNRLNPPQSLHVLLPRSDYRIDHDSWNVVGLRGTGSKDLIVENAFLPEYRTLRAERVMGGVAWQDAGRDETLYKFPFSCIFPLGITSSLIGIAEGALNCYIESQRERVTVSGTAIKQDPYVLSNLGDAAAEIAASRAALLETVDRFWDLTERGIRGHLRATRDRTPDPGRRGHGGPCAPSNEIFFAGRRAGALQLSNPLQRFWRDAHAGLSHAIHVPGSIFHAATLTQLGEEPQGMNAGR
1,995
4,151
4,017
3,860
AF-Q6QF57-F1-model_v4.pdb
MEAITKNGSLSQTLVHCGPKSLSSFIPVRCLRFSKNPFPKKLVVTRARTSINSDHEAANRPLFQFPPSLLDDRFLSISANQSEIDSLGRDIEALKAKVSEKLVCMDVKERIHLIHLLVSLGVAYHFEKQIEEFLKVDFENVEDMNLGEEDMYSISVIFRVFRLYRHKLSSDVFNRFKEENGDFKKCLLDDVRGMLSFYEASYFGTNTEEILDEAMGFTRKHLELFVGGSNEEHLSGHIKNVLYLSQQENAEVVMSREYIQFYEQETHHDETLLKFAKINFKFMQLHYVQELQTIVKWWKELDLESKIPNYYRVRAVECLY...
brenda
A0A178U9Y5
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C/C1=C\C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC/C(C)=C/CC1.O=P(O)(O)OP(=O)(O)O
0.83
0
30
7.5
4.2.3.167
3,702
-0.080922
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O
C/C1=C\C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC/C(C)=C/CC1.O=P(O)(O)OP(=O)(O)O
-0.080922
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O__MEAITKNGSLSQTLVHCGPKSLSSFIPVRCLRFSKNPFPKKLVVTRARTSINSDHEAANRPLFQFPPSLLDDRFLSISANQSEIDSLGRDIEALKAKVSEKLVCMDVKERIHLIHLLVSLGVAYHFEKQIEEFLKVDFENVEDMNLGEEDMYSISVIFRVFRLYRHKLSSDVFNRFKEENGDFKKCLLDDVRGMLSFYEASYFGTNTEEILDEAMGFTRKHLELFVGGSNEEHLSGHIKNVLYLSQQENAEVVMSREYI...
1,729
1,358
6,290
1,639
AF-A0A178U9Y5-F1-model_v4.pdb
MQTSAMALLARILRAGLRPAPERGGLLGGGAPRRPQPAGARLPAGARAEDKGAGRPGSPPGGGRAEGPRSLAAMPGPRTLANLAEFFCRDGFSRIHEIQQKHTREYGKIFKSHFGPQFVVSIADRDMVAQVLRAEGAAPQRANMESWREYRDLRGRATGLISAEGEQWLKMRSVLRQRILKPKDVAIYSGEVNQVIADLIKRIYLLRSQAEDGETVTNVNDLFFKYSMEGVATILYESRLGCLENSIPQLTVEYIEALELMFSMFKTSMYAGAIPRWLRPFIPKPWREFCRSWDGLFKFSQIHVDNKLRDIQYQMDRGRR...
brenda
Q4G0S4
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1.O=O.[H+]>>CC1=C(/C=C/C(C)C/C=C/C(C)=C/C(=O)O)C(C)(C)CC=C1.O
0.023
2.296046
37
7.4
1.14.19.53
9,606
-1.638272
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1.O=O.[H+]
CC1=C(/C=C/C(C)C/C=C/C(C)=C/C(=O)O)C(C)(C)CC=C1.O
-1.638272
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1.O=O.[H+]__MQTSAMALLARILRAGLRPAPERGGLLGGGAPRRPQPAGARLPAGARAEDKGAGRPGSPPGGGRAEGPRSLAAMPGPRTLANLAEFFCRDGFSRIHEIQQKHTREYGKIFKSHFGPQFVVSIADRDMVAQVLRAEGAAPQRANMESWREYRDLRGRATGLISAEGEQWLKMRSVLRQRILKPKDVAIYSGEVNQVIADLIKRIYLLRSQAEDGETVTNVNDLFFKYSMEGVATILYESRLGCLENSIPQLTVEYIEALELMF...
1,177
1,924
3,568
2,397
AF-Q4G0S4-F1-model_v4.pdb
MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVTPSEAAAEADVIMILVPDPIQAQVYEESIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDATGNGFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAQAWMDEYHGGLKKYNEYKTQDENHLLETTGKE...
brenda
Q59818
CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCC(O)(C(=O)O)C(C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
0.4
0
25
8
1.1.1.86
33,903
-0.39794
CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
CCC(O)(C(=O)O)C(C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
-0.39794
CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]__MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVTPSEAAAEADVIMILVPDPIQAQVYEESIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDATGNGFALAL...
1,575
5,234
1,622
758
AF-Q59818-F1-model_v4.pdb
MPIRVPDELPAVNFLREENVFVMTTSRASGQEIRPLKVLILNLMPKKIETENQFLRLLSNSPLQVDIQLLRIDSRESRNTPAEHLNNFYCNFEDIQDQNFDGLIVTGAPLGLVEFNDVAYWPQIKQVLEWSKDHVTSTLFVCWAVQAALNILYGIPKQTRTEKLSGVYEHHILHPHALLTRGFDDSFLAPHSRYADFPAALIRDYTDLEILAETEEGDAYLFASKDKRIAFVTGHPEYDAQTLAQEFFRDVEAGLDPDVPYNYFPHNDPQNTPRASWRSHGNLLFTNWLNYYVYQITPYDLRHMNPTLD
sabio
P07623
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.NCCCO>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.NCCCOC(=O)CCC(=O)O
0.13
0
25
7.5
2.3.1.46
562
-0.886057
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.NCCCO
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.NCCCOC(=O)CCC(=O)O
-0.886057
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.NCCCO__MPIRVPDELPAVNFLREENVFVMTTSRASGQEIRPLKVLILNLMPKKIETENQFLRLLSNSPLQVDIQLLRIDSRESRNTPAEHLNNFYCNFEDIQDQNFDGLIVTGAPLGLVEFNDVAYWPQIKQVLEWSKDHVTSTLFVCWAVQAALNILYGIPKQTRTEKLSGVYEHHILHPHALLTRGFDDSFLAPHSRYADFPAALIRDYTDLEILA...
1,630
1,230
1,707
1,436
AF-P07623-F1-model_v4.pdb
MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRL...
sabio
Q75I93
O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
16.93
0
30
5
3.2.1.21
4,530
1.228657
O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
1.228657
O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O__MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFT...
1,057
623
294
324
AF-Q75I93-F1-model_v4.pdb
MDLGLAGRRALVTGAGKGIGRSTVLALKAAGAQVVAVSRTREDLDDLVRECPGVEPVCVDLADWEATEQALSNVGPVDLLVNNAAVALLQPFLEVTKEACDTSFNVNLRAVIQVSQIVAKGMIARGVPGAIVNVSSQASQRALTNHTVYCSTKGALDMLTKMMALELGPHKIRVNAVNPTVVMTPMGRTNWSDPHKAKAMLDRIPLGKFAEVENVVDTILFLLSNRSGMTTGSTLPVDGGFLAT
sabio
Q91X52
CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCC(O)C(C)=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
24
0
25
7
1.1.1.10
10,090
1.380211
CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]
CCCCC(O)C(C)=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
1.380211
CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]__MDLGLAGRRALVTGAGKGIGRSTVLALKAAGAQVVAVSRTREDLDDLVRECPGVEPVCVDLADWEATEQALSNVGPVDLLVNNAAVALLQPFLEVTKEACDTSFNVNLRAVIQVSQIVAKGMIARGVPGAIVNVSSQASQRALTNHTVYCSTKGALDMLTKMMALELGPHKIRVNAVNPTVVMTPMGRTNWSDPHKAKAMLDRIPLGK...
1,316
3,874
6,191
846
AF-Q91X52-F1-model_v4.pdb
MADKWWGEQLLGRGDDGDLWAVSAAPVTRGELRAGVAGLRLRFRESGISEGSSVLLRMTPSFTYLQVLLALWSCGAQVVLVDFRLKPAEFEPLVERVRPQYLVVAAGAGGPVTGFRQESDFEVRRLAGGRPAEDGVVLVQFSSGSTGRPKVIGRPAGSVLAELDRHAGLPGTPGPGERVLLLNSVMHNMGLMTGVLHALAAGATLVVPPTFRPAEVLRLMARTEVSVMYGTPVHYDLLARTADRPERLSLRLAVSGGERVPEETRQRFLAAFGLPICQVYGVTEIGLIAGDLSGRCIPPEIGPPVPGVELEIDGEELLVR...
uniprot_search
P80435
Cc1ccc(CO)cc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ccc(C(=O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1O.O=P(O)(O)OP(=O)(O)O
0.007
1.070937
28
8
2.7.7.97
1,892
-2.154902
Cc1ccc(CO)cc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Cc1ccc(C(=O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1O.O=P(O)(O)OP(=O)(O)O
-2.154902
Cc1ccc(CO)cc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MADKWWGEQLLGRGDDGDLWAVSAAPVTRGELRAGVAGLRLRFRESGISEGSSVLLRMTPSFTYLQVLLALWSCGAQVVLVDFRLKPAEFEPLVERVRPQYLVVAAGAGGPVTGFRQESDFEVRRLAGGRPAEDGVVLVQFSSGSTGRPKVIGRPAGSVLAELDRHAGLPGTPGPGERVLLLNSVMHNMGLMTGVLHALAAGATLVVPPTFRPAEVLRLMARTEVSVMY...
1,992
4,148
4,014
3,856
AF-P80435-F1-model_v4.pdb
MSSSEVKANGWTAVPVSAKAIVDSLGKLGDVSSYSVEDIAFPAADKLVAEAQAFVKARLSPETYNHSMRVFYWGTVIARRLLPEQAKDLSPSTWALTCLLHDVGTAEAYFTSTRMSFDIYGGIKAMEVLKVLGSSTDQAEAVAEAIIRHEDVGVDGNITFLGQLIQLATLYDNVGAYDGIDDFGSWVDDTTRNSINTAFPRHGWCSWFACTVRKEESNKPWCHTTHIPQFDKQMEANTLMKPWE
sabio
P22143
N#CN.O>>NC(N)=O
144
0
37
7.7
4.2.1.69
5,532
2.158362
N#CN.O
NC(N)=O
2.158362
N#CN.O__MSSSEVKANGWTAVPVSAKAIVDSLGKLGDVSSYSVEDIAFPAADKLVAEAQAFVKARLSPETYNHSMRVFYWGTVIARRLLPEQAKDLSPSTWALTCLLHDVGTAEAYFTSTRMSFDIYGGIKAMEVLKVLGSSTDQAEAVAEAIIRHEDVGVDGNITFLGQLIQLATLYDNVGAYDGIDDFGSWVDDTTRNSINTAFPRHGWCSWFACTVRKEESNKPWCHTTHIPQFDKQMEANTLMKPWE
2,134
4,334
4,221
4,079
AF-P22143-F1-model_v4.pdb
MGELRVRSVLVTGANRGIGLGFVQHLLALSNPPEWVFATCRDPKGQRAQELQKLASKHPNLVIVPLEVTDPASIKAAAASVGERLKGSGLNLLINNAGIARANTIDNETLKDMSEVYTTNTIAPLLLSQAFLPMLKKAAQENPGSGLSCSKAAIINISSTAGSIQDLYLWQYGQALSYRCSKAALNMLTRCQSMGYREHGIFCVALHPGWVKTDMGGTLEDKSRVTVDESVGGMLKVLSNLSEKDSGAFLNWEGKVMAW
brenda
F1N9C1
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C...
0.68
0
25
6.5
1.1.1.184
9,031
-0.167491
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
-0.167491
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]__MGELRVRSVLVTGANRGIGLGFVQHLLALSNPPEWVFATCRDPKGQRAQELQKLASKHPNLVIVPLEVTDPASIKAAAASVGERLKGSGLNLLINNAGIARANTIDNETLKDMSEVYTTNTIAPLL...
1,786
1,457
2,509
1,769
AF-F1N9C1-F1-model_v4.pdb
MKYTKTLLAMVLSATFCQAYAEDKVWISIGADANQTVMKSGAESILPNSVASSGQVWVGQVDVAQLAELSHNMHEEHNRCGGYMVHPSAQSAMAASAMPTTLASFVMPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIASEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDSTIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAAEEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFITDYTDSNFTQYLTQLMDEYLP...
uniprot_search
Q01693
CSCC[C@H](N)C(=N)O.O>>CSCC[C@H](N)C(=O)O.N
32
0
15.65
8.5
3.4.11.10
671
1.50515
CSCC[C@H](N)C(=N)O.O
CSCC[C@H](N)C(=O)O.N
1.50515
CSCC[C@H](N)C(=N)O.O__MKYTKTLLAMVLSATFCQAYAEDKVWISIGADANQTVMKSGAESILPNSVASSGQVWVGQVDVAQLAELSHNMHEEHNRCGGYMVHPSAQSAMAASAMPTTLASFVMPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIASEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDSTIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAAEEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVF...
1,813
1,491
3,063
1,815
AF-Q01693-F1-model_v4.pdb
MIIKVNSVQTQKSQDGNKVHNSQDDMDNEEKSIRIYADGVYDLLHLGHMKQLEQAKHVDKNVTLIVGVTGDNETRKFKGQIVQTLEERTETLKHIRWVDEIISPCPWVITPEFMEEHKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDIYAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDYIERSLQRGIHPNELNIGVTKAQSIKMKKNLIRWGEKVTDELTKVTLTDKPLGTDFDQGIDIIRDKVHDLFKLWRYHSKKLLKDFAKSFDPMFIIIRKRYRKDNLSAMYLSDSNYFSSSMKDELKKKKSLS...
brenda
Q8IEE9
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O
1.45
0
37
7.4
2.7.7.15
5,833
0.161368
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O
0.161368
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O__MIIKVNSVQTQKSQDGNKVHNSQDDMDNEEKSIRIYADGVYDLLHLGHMKQLEQAKHVDKNVTLIVGVTGDNETRKFKGQIVQTLEERTETLKHIRWVDEIISPCPWVITPEFMEEHKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDIYAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDYIERSLQRGIHPNELNIGVTKAQSIKMKKNLIRWGEKVTD...
2,425
4,830
4,893
4,744
AF-Q8IEE9-F1-model_v4.pdb
MASSSPELPLKPIPGGYGFPFLGPIKDRYDYFYFQGRDEFFRSRITKYNSTVFHANMPPGPFISSDSRVVVLLDALSFPILFDTTKVEKRNILDGTYMPSLSFTGGIRTCAYLDPSETEHTVLKRLFLSFLASRHDRFIPLFRSSLSEMFVKLEDKLADKNKIADFNSISDAMSFDYVFRLFSDGTPDSTLAADGPGMFDLWLGLQLAPLASIGLPKIFSVFEDLIIHTIPLPFFPVKSRYRKLYKAFYSSSGSFLDEAEKQGIDREKACHNLVFLAGFNAYGGMKVLFPTILKWVGTGGEDLHRKLAEEVRTTVKEEGG...
brenda
U5YTM6
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO>>CCCCC[C@@H]1O/C1=C/C=C\CCCCCCCC(=O)O.O
596.4
0
23
7
4.2.1.92
3,659
2.775538
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO
CCCCC[C@@H]1O/C1=C/C=C\CCCCCCCC(=O)O.O
2.775538
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO__MASSSPELPLKPIPGGYGFPFLGPIKDRYDYFYFQGRDEFFRSRITKYNSTVFHANMPPGPFISSDSRVVVLLDALSFPILFDTTKVEKRNILDGTYMPSLSFTGGIRTCAYLDPSETEHTVLKRLFLSFLASRHDRFIPLFRSSLSEMFVKLEDKLADKNKIADFNSISDAMSFDYVFRLFSDGTPDSTLAADGPGMFDLWLGLQLAPLASIGLPKIFSVFEDLIIHTIPLPFFPVKSRYRKLYKAFYSSSGSFLDEAEKQGIDREKACHNLVFLAGFNA...
3,119
1,891
3,524
2,343
AF-U5YTM6-F1-model_v4.pdb
MGLFAGKGVLVTGGARGIGRAIAQAFAREGALVALCDLRPEGKEVAEAIGGAFFQVDLEDERERVRFVEEAAYALGRVDVLVNNAAIAAPGSALTVRLPEWRRVLEVNLTAPMHLSALAAREMRKVGGGAIVNVASVQGLFAEQENAAYNASKGGLVNLTRSLALDLAPLRIRVNAVAPGAIATEAVLEAIALSPDPERTRRDWEDLHALRRLGKPEEVAEAVLFLASEKASFITGAILPVDGGMTASFMMAGRPV
brenda
Q5SLC4
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
7.383
7.625379
50
7.4
1.1.1.121
300,852
0.868233
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
0.869232
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O__MGLFAGKGVLVTGGARGIGRAIAQAFAREGALVALCDLRPEGKEVAEAIGGAFFQVDLEDERERVRFVEEAAYALGRVDVLVNNAAIAAPGSALTVRLPEWRRVLEVNLTAPMHLSALAAREMRKVGGGAIVNVASVQGLFAEQENAAYNASKGGLVNLTRSLALDLAPLRIRVNAV...
1,373
3,679
1,476
3,442
AF-Q5SLC4-F1-model_v4.pdb
MDYRMCWLEYRGLPADVAGKLKDWFSSVSILEPGSSVLKDEIRRFSERSIGITPRFYSRPLKKEKYIMVGRLESLPIKLDVNLGEEGFMLRTIEWNGSKILLVTGETKKALVYGIFDLMKRIRLGEDIEKMNVLAKPKAKFRMLNHWDNLDGTIERGYAGNSIFFKDNRIIINQRTKDYARLLASIGINGVVINNVNVKKREVYLIDSIYLKKLKKLADIFREYGIKIYLSINFASPVYLGGLDTADPLDERVARWWREKARGIYDYIPDFGGFLVKADSEFNPGPHMFGRTHAEGANMLARALAPFGGVVIWRAFVYNC...
brenda
P96105
O.O=C(O)[C@H]1O[C@@H](Cc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O>>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.O=[N+]([O-])c1ccc(O)cc1
0.28
0.296307
80
7.05
3.2.1.139
2,336
-0.552842
O.O=C(O)[C@H]1O[C@@H](Cc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.O=[N+]([O-])c1ccc(O)cc1
-0.552842
O.O=C(O)[C@H]1O[C@@H](Cc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O__MDYRMCWLEYRGLPADVAGKLKDWFSSVSILEPGSSVLKDEIRRFSERSIGITPRFYSRPLKKEKYIMVGRLESLPIKLDVNLGEEGFMLRTIEWNGSKILLVTGETKKALVYGIFDLMKRIRLGEDIEKMNVLAKPKAKFRMLNHWDNLDGTIERGYAGNSIFFKDNRIIINQRTKDYARLLASIGINGVVINNVNVKKREVYLIDSIYLKKLKKLADIFREYGIKIYLSINFASPVYLGGLDTAD...
264
2,793
5,115
5,976
AF-P96105-F1-model_v4.pdb
MSSRSTRASKLVTSGQQRLGGDRPNLSARPVTRAISHPGPLTRRDFLRLAGGAALGLGIVSGLPTWAAWGGRAWAAAVNPASGGPLPLPGQSGLFGLLAPTGPFTLTAAPQPGLLPATGGPLLTYMAEHEGRVYHNPVLVLEKGQDFAVRLVNELGAIGPAPGGHGDAHGAGHGGHTPAASSGSNDAGPDTIIHWHGVDCPWRQAGHPMYAVGPGGHYDYAFPITNRAGTYWYHPHPHGDTARQAYLGLASFFIVRDDEERAFARELDLTLGVTDIPLVLQDKRIGPDGGLVYTPTQDELFMGYLGDRVLVNGAHLPTLS...
brenda
G2H480
CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O
0.58
93.453491
25
7
1.10.3.2
298,701
-0.236572
CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O
O
-0.236572
CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O__MSSRSTRASKLVTSGQQRLGGDRPNLSARPVTRAISHPGPLTRRDFLRLAGGAALGLGIVSGLPTWAAWGGRAWAAAVNPASGGPLPLPGQSGLFGLLAPTGPFTLTAAPQPGLLPATGGPLLTYMAEHEGRVYHNPVLVLEKGQDFAVRLVNELGAIGPAPGGHGDAHGAGHGGHTPAASSGSNDAGPDTIIHWHGVDCPWRQAGHPMYAVGPGGHYDYAFPITNRAGTYWYHPHPHGDTARQAYLGLAS...
3,413
2,305
1,015
2,910
AF-G2H480-F1-model_v4.pdb
MENMENDENIVVGPKPFYPIEEGSAGTQLRKYMERYAKLGAIAFTNAVTGVDYSYAEYLEKSCCLGKALQNYGLVVDGRIALCSENCEEFFIPVIAGLFIGVGVAPTNEIYTLRELVHSLGISKPTIVFSSKKGLDKVITVQKTVTTIKTIVILDSKVDYRGYQCLDTFIKRNTPPGFQASSFKTVEVDRKEQVALIMNSSGSTGLPKGVQLTHENTVTRFSHARDPIYGNQVSPGTAVLTVVPFHHGFGMFTTLGYLICGFRVVMLTKFDEETFLKTLQDYKCTSVILVPTLFAILNKSELLNKYDLSNLVEIASGGAP...
brenda
P13129
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1...
0.651
0
null
null
1.13.12.7
7,051
-0.186419
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
-0.186419
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MENMENDENIVVGPKPFYPIEEGSAGTQLRKYMERYAKLGAIAFTNAVTGVDYSYAEYLEKSCCLGKALQNYGLVVDGRIALCSENCEEFFIPVIAGLFIGVGVAPTNEIYTLRE...
1,668
1,277
4,559
1,513
AF-P13129-F1-model_v4.pdb
MNYARFITAASAARNPSPIRTMTDILSRGPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVD...
brenda
Q8N5Z0
CC(C)CC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>
2.51
99.70445
37
7.4
2.6.1.7
9,606
0.399674
CC(C)CC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O
null
0.399674
CC(C)CC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O__MNYARFITAASAARNPSPIRTMTDILSRGPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSG...
1,302
3,856
6,172
824
AF-Q8N5Z0-F1-model_v4.pdb
MQPPASAGLFRSPENLPWPYNYMDYLVAGFLVLTAGILLRPWLWLRLRNSKTKDGDEEEDNEEKKKGMIPNGSLGWPVIGETLNFIACGYSSRPVTFMDKRKSLYGKVFKTNIIGTPIIISTDAEVNKVVLQNHGNTFVPAYPKSITELLGENSILSINGPHQKRLHTLIGAFLRSPHLKDRITRDIEASVVLTLASWAQLPLVHVQDEIKKMTFEILVKVLMSTSPGEDMNILKLEFEEFIKGLICIPIKFPGTRLYKSLKAKERLIKMVKKVVEERQVAMTTTSPANDVVDVLLRDGGDSEKQSQPSDFVSGKIVEMM...
brenda
Q9M066
CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O>>CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O
0.046
10,000,000
30
7.3
1.14.14.147
3,702
-1.337242
CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O
-1.337242
CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O__MQPPASAGLFRSPENLPWPYNYMDYLVAGFLVLTAGILLRPWLWLRLRNSKTKDGDEEEDNEEKKKGMIPNGSLGWPVIGETLNFIACGYSSRPVTFMDKRKSLYGKVFKTNIIGTPIIISTDAEVNKVVLQNHGNTFVPAYPKSITELLGENSILSINGPHQKRLHTLIGAFLRSPHLKDRITRDIEASVVLTLASWAQLPLVHVQDEIKKMTFEILVKVL...
2,905
1,620
3,219
1,996
AF-Q9M066-F1-model_v4.pdb
MTMAMASMKGENVTVSAAAAPRMKKLASMLCMKGGNGDGSYLNNSQAQALHARRMLHFLEETLDAMMERSSSDKLFTAADLGCSCGSNSLFIVDVIVRRVSEAYESRGRDAPEFQVFFSDLPSNDFNTLFQLLPPLLAPVAGSLEECLAAGEGAATATRPYHAAGVPGTFYGRLFPGESIDVFTSTFSLHWLSQVPEEVGDSASPAYNGGRVFVHRATEAVAAAYKRQFQADLARFLRSRAREMKRGGAMFLACLGRSSGDPADQGGAGLLFGTHFQDAWDDLVQEGVVEGEKRDSFNIPVYAPSLQEFRDVVRADGAFA...
brenda
Q0J998
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)Cc1c[nH]c2ccccc12>>Cc1[nH]c2ccccc2c1CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
0.025
0.087708
25
7.5
2.1.1.278
39,947
-1.60206
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)Cc1c[nH]c2ccccc12
Cc1[nH]c2ccccc2c1CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
-1.60206
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)Cc1c[nH]c2ccccc12__MTMAMASMKGENVTVSAAAAPRMKKLASMLCMKGGNGDGSYLNNSQAQALHARRMLHFLEETLDAMMERSSSDKLFTAADLGCSCGSNSLFIVDVIVRRVSEAYESRGRDAPEFQVFFSDLPSNDFNTLFQLLPPLLAPVAGSLEECLAAGEGAATATRPYHAAGVPGTFYGRLFPGESIDVFTSTFSLHWLSQVPEEVGDSASPAYNGGRVFVHRATEAVAA...
3,857
3,981
1,869
3,694
AF-Q0J998-F1-model_v4.pdb
MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMD...
brenda
C5NSV0
Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.O=C(O)[C@@H]1CCCN1
2.03
0
37
8
3.4.11.1
33,632
0.307496
Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O
Cc1cc(=O)oc2cc(N)ccc12.O=C(O)[C@@H]1CCCN1
0.307496
Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O__MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFL...
1,822
4,062
1,917
3,747
AF-C5NSV0-F1-model_v4.pdb
MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEG...
uniprot_search
P09960
Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N)ccc12.O>>C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
3.22
0
37
5
3.4.11.4
9,606
0.507856
Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N)ccc12.O
C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
1.619719
Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N)ccc12.O__MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKI...
1,814
1,492
3,759
1,816
AF-P09960-F1-model_v4.pdb
MKVRAIKSFLATTMAMTFLVSMGQGSILTKANTINNMKYVTEAFGAIPTEEQVSYQKEELTAFIHFGVNTFTGREWGDGTENPEIFNPTNLDADQWVKTLADAGFGRVILTAKHHDGFCLWDSAYTKHDVASSPWKNGKGDVVKEVSEACAKYNIKFGVYLSPWDQNSEHYGEGNGGDYNEFYMNQLRELLTNYGPIAEVWMDGAKGSNVKQEYNFEEWFALIKELQPECLIFSPQGPDIRWIGNEKGYAGEPCWSTIDIEKMKERENPTYLNNGEEGGSDWVVGESDVSIRPGWFYHESQDNEVKSLEKMMDIYFKSIG...
brenda
A0A0H2YQI3
CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.O>>CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
23.6
0
40
8
3.2.1.51
1,502
1.372912
CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.O
CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
1.372912
CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.O__MKVRAIKSFLATTMAMTFLVSMGQGSILTKANTINNMKYVTEAFGAIPTEEQVSYQKEELTAFIHFGVNTFTGREWGDGTENPEIFNPTNLDADQWVKTLADAGFGRVILTAKHHDGFCLWDSAYTKHDVASSPWKNGKGDVVKEVSEACAKYNIKFGVYLSPWDQNSEHYGEGNGGDYNEFYMNQLRE...
3,027
1,777
3,403
2,210
AF-A0A0H2YQI3-F1-model_v4.pdb
MSNVLIFNVGSSSLTYKVFCSDNIVCSGKSNRVNVTGTEKPFIEHHLNGQIIKIETPILNHPQAAKLIIQFLKENHISIAFVGHRFVHGGSYFKKSAVIDEVVLKELKECLPLAPIHNPSSFGVIEISMKELPTTRQYVAIDTAFHSTISQAERTYAIPQPYQSQYLKFGFHGLSYEYVINSLKNVIDVSHSKIIACHLGTGGSSCCGIVNGKSFDTSMGNSTLAGLVMSTRCGDIDPTIPIDMIQQVGIEKVVDILNKKSGLLGVSELSSDMRDILHEIETRGPKAKTCQLAFDVYIKQLAKTIGGLMVEIGGLDLLVF...
brenda
C4M1C3
CC(=O)OP(=O)(O)O.O=P(O)(O)O>>CC(=O)O.O=P(O)(O)OP(=O)(O)O
21
0
37.333333
6.75
2.7.2.12
5,759
1.322219
CC(=O)OP(=O)(O)O.O=P(O)(O)O
CC(=O)O.O=P(O)(O)OP(=O)(O)O
2.424882
CC(=O)OP(=O)(O)O.O=P(O)(O)O__MSNVLIFNVGSSSLTYKVFCSDNIVCSGKSNRVNVTGTEKPFIEHHLNGQIIKIETPILNHPQAAKLIIQFLKENHISIAFVGHRFVHGGSYFKKSAVIDEVVLKELKECLPLAPIHNPSSFGVIEISMKELPTTRQYVAIDTAFHSTISQAERTYAIPQPYQSQYLKFGFHGLSYEYVINSLKNVIDVSHSKIIACHLGTGGSSCCGIVNGKSFDTSMGNSTLAGLVMSTRCGDIDPTIPIDMIQQVGIEKVVDILNKKSGLLGVSELSSDMRDILHEIETRGPKAKTCQ...
1,432
950
753
1,049
AF-C4M1C3-F1-model_v4.pdb
MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVSTLRGEILIFKDRHFWRKSLR...
uniprot_search
P08254
CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O>>
2.12
99.851824
25
6.75
3.4.24.17
9,606
0.326336
CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O
null
0.326336
CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O__MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHE...
3,567
2,209
3,896
2,767
AF-P08254-F1-model_v4.pdb
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYS...
brenda
P42330
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Oc1ccccc1O
0.0333
0.058841
30
7.416667
1.3.1.20
9,606
-1.477556
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Oc1ccccc1O
-1.316053
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O__MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFN...
1,329
1,150
197
877
AF-P42330-F1-model_v4.pdb
MKSQTTKPLQQSISTNLSSNKEMQVKRLSVEGNIAVGKSTFLRLLSNTFQEWSFATEPLKKWQNIQSTSFQTTTSSKPPMDNLLQLMYDDPKRWSYTFQTFSCMSRFKIQIQPLSEPVLKQQEHVQIFERSVYSDRYIFAKTLYELQHLNEMEWTLYQEWHTFLIQEFSRRVALDGIIYLWATPEKCFERLQRRARKEEKTLQLQYLEKLHDQHESWLTKKTTEVSFENMKNIPVLLLNVEEDFENNSAAGDELNNRVKAFVAGL
brenda
Q6GPW6
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
0.07
0
37
7.5
2.7.1.113
8,355
-1.154902
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
-1.154902
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MKSQTTKPLQQSISTNLSSNKEMQVKRLSVEGNIAVGKSTFLRLLSNTFQEWSFATEPLKKWQNIQSTSFQTTTSSKPPMDNLLQLMYDDPKRWSYTFQTFSCMSRFKIQIQPLSEPVLKQQEHVQIFERSVYSDRYIFAKTLYELQHLNEMEWTLYQEWHTFLIQEFSRRVALDGIIYLWATPEKCFERLQRRARKEEK...
2,050
4,220
4,093
3,941
AF-Q6GPW6-F1-model_v4.pdb
AEVCYSHLGCFSDEKPWAGTSQRPIKSLPSDPKKINTRFLLYTNENQNSYQLITATDIATIKASNFNLNRKTRFIIHGFTDSGENSWLSDMCKNMFQVEKVNCICVDWKGGSKAQYSQASQNIRVVGAEVAYLVQVLSTSLNYAPENVHIIGHSLGAHTAGEAGKRLNGLVGRITGLDPAEPYFQDTPEEVRLDPSDAKFVDVIHTDISPILPSLGFGMSQKVGHMDFFPNGGKDMPGCKTGISCNHHRSIEYYHSSILNPEGFLGYPCASYDEFQESGCFPCPAKGCPKMGHFADQYPGKTNAVEQTFFLNTGASDNFT...
sabio
P81139
CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O>>CCC(=O)O.CCC(=O)OCC(CO)OC(=O)CC
750
0
25
7
3.1.1.1
10,141
2.875061
CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O
CCC(=O)O.CCC(=O)OCC(CO)OC(=O)CC
2.875061
CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O__AEVCYSHLGCFSDEKPWAGTSQRPIKSLPSDPKKINTRFLLYTNENQNSYQLITATDIATIKASNFNLNRKTRFIIHGFTDSGENSWLSDMCKNMFQVEKVNCICVDWKGGSKAQYSQASQNIRVVGAEVAYLVQVLSTSLNYAPENVHIIGHSLGAHTAGEAGKRLNGLVGRITGLDPAEPYFQDTPEEVRLDPSDAKFVDVIHTDISPILPSLGFGMSQKVGHMDFFPNGGKDMPGCKTGISCNHHRSIEYYHSSILNPEGFLGYPCASYDEFQESGCFPCPAKG...
1,212
3,017
546
624
AF-P81139-F1-model_v4.pdb
MQKQHNVVAGVDMGATHIRFCLRTAEGETLHCEKKRTAEVIAPGLVSGIGEMIDEQLRRFNARCHGLVMGFPALVSKDKRTIISTPNLPLTAADLYDLADKLENTLNCPVEFSRDVNLQLSWDVVENRLTQQLVLAAYLGTGMGFAVWMNGAPWTGAHGVAGELGHIPLGDMTQHCACGNPGCLETNCSGMALRRWYEQQPRNYPLRDLFVHAENAPFVQSLLENAARAIATSINLFDPDAVILGGGVMDMPAFPRETLVAMTQKYLRRPLPHQVVRFIAASSSDFNGAQGAAILAHQRFLPQFCAKAP
sabio
P32718
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
47
0
25
7.6
2.7.1.55
562
1.672098
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
1.672098
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O__MQKQHNVVAGVDMGATHIRFCLRTAEGETLHCEKKRTAEVIAPGLVSGIGEMIDEQLRRFNARCHGLVMGFPALVSKDKRTIISTPNLPLTAADLYDLADKLENTLNCPVEFSRDVNLQLSWDVVENRLTQQLVLAAYLGTGMGFAVWMNGAPWTGAHGVAGELGHIPLGDMTQHCACGNPGCLETNCSGMALRRWYEQQPRNYPLRDLFVHAENAPFVQSLLENAARAIATSINLFDPDA...
65
2,540
2,832
5,679
AF-P32718-F1-model_v4.pdb
MKTLSQAQSKTSSQQFSFTGNSSANVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESGEPIYGVTSGFGGMANVAISREQASELQTNLVWFLKTGAGNKLPLADVRAAMLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIGASGDLVPLSYITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTSVMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPGQLWAADQMISLLANSQLVRDELDGKHDYRDHELIQDRYSLRCLP...
brenda
Q3M5Z3
N.O=C(O)/C=C/c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O
0.03
0
30
8.3
4.3.1.24
264,691
-1.522879
N.O=C(O)/C=C/c1ccccc1
N[C@@H](Cc1ccccc1)C(=O)O
-1.522879
N.O=C(O)/C=C/c1ccccc1__MKTLSQAQSKTSSQQFSFTGNSSANVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESGEPIYGVTSGFGGMANVAISREQASELQTNLVWFLKTGAGNKLPLADVRAAMLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIGASGDLVPLSYITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTSVMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPGQLWAADQMISLLANSQLVRDE...
2,167
4,384
4,275
4,147
AF-Q3M5Z3-F1-model_v4.pdb
MTSSEIAMPGEVKADPAALMASLQLLPSPTPNLEIKYTKIFINNEWQNSESGRVFPVCNPATGEQVCEVQEADKVDIDKAVQAARLAFSLGSVWRRMDASERGRLLDKLADLVERDRATLATMESLNGGKPFLQAFYIDLQGVIKTLRYYAGWADKIHGMTIPVDGDYFTFTRHEPIGVCGQIIPWNFPLLMFTWKIAPALCCGNTVVIKPAEQTPLSALYMGALIKEAGFPPGVVNILPGYGPTAGAAIASHIGIDKIAFTGSTEVGKLIQEAAGRSNLKRVTLELGGKSPNIIFADADLDYAVEQAHQGVFFNQGQCC...
brenda
Q63639
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O...
0.1
0
25
8.5
1.2.1.36
10,116
-1
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
-1
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]__MTSSEIAMPGEVKADPAALMASLQLLPSPTPNLEIKYTKIFINNEWQNSESGRVFPVCNPATGEQVCEVQEADKVDIDKAVQAARLAFSLGSVWRRMDASERGRLLDKLADLVERDRATLATMESLNGGKPFLQAFYIDLQG...
1,760
1,929
3,573
2,404
AF-Q63639-F1-model_v4.pdb
MEDIIIGVVALAAVLLFFLYQKPKTKRYKLPPGPSPLPVIGNLLQLQKLNPQRFFAGWAKKYGPILSYRIGSRTMVVISSAELAKELLKTQDVNFADRPPHRGHEFISYGRRDMALNHYTPYYREIRKMGMNHLFSPTRVATFKHVREEEARRMMDKINKAADKSEVVDISELMLTFTNSVVCRQAFGKKYNEDGEEMKRFIKILYGTQSVLGKIFFSDFFPYCGFLDDLSGLTAYMKECFERQDTYIQEVVNETLDPKRVKPETESMIDLLMGIYKEQPFASEFTVDNVKAVILDIVVAGTDTAAAAVVWGMTYLMKYP...
sabio
P48421
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CS)C(=O)O.O=O.ON=CCc1c[nH]c2ccccc12.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.N[C@@H](CS/C(Cc1c[nH]c2ccccc12)=N\O)C(=O)O.O
8,400
0.845546
28
7.6
1.14.14.43
3,702
3.924279
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CS)C(=O)O.O=O.ON=CCc1c[nH]c2ccccc12.[H]
NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.N[C@@H](CS/C(Cc1c[nH]c2ccccc12)=N\O)C(=O)O.O
3.924279
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CS)C(=O)O.O=O.ON=CCc1c[nH]c2ccccc12.[H]__MEDIIIGVVALAAVLLFFLYQKPKTKRYKLPPGPSPLPVIGNLLQLQKLNPQRFFAGWAKKYGPILSYRIGSRTMVVISSAELAKELLKTQDVNFADRPPHRGHEFISYGRRDMALNHYTPYYREIRKMGMNHLFSPTRVATFKHVREEEARRMMDKINKAADKSEVVDISELMLTFTNSVVCRQ...
2,555
4,554
2,097
4,961
AF-P48421-F1-model_v4.pdb
MIVPLQGAQMLQMLEKSLRKYLPESLKVYGTVYHMIHGNPFNLKALVDKWPDFNTVVVRPQEQEMTDDLDFYINTYQVYSKDPQNCQEFLESSEVINWKQHLQIQSSQSHLNKTIQNLASIQSFQIKHSENILYVSSETIKKLFPSLLDTKNLSTGSGKPKAIDQDKFKLSSLDVVHAALVNKFWLFGGNERSQRFIERCIKNFPSSCVLGPEGTPASWTLMDQTGEMRMGGTMPEYRLQGLVSFVVHSQDQIMTKRGYPVYSHTEKSNIAMQKMSYTLQHLPMPCAWNQWKCMPM
brenda
Q91XE0
CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(O)=NCC(=O)O
15
0
37
7.5
2.3.1.13
10,090
1.176091
CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(=O)O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(O)=NCC(=O)O
1.176091
CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(=O)O__MIVPLQGAQMLQMLEKSLRKYLPESLKVYGTVYHMIHGNPFNLKALVDKWPDFNTVVVRPQEQEMTDDLDFYINTYQVYSKDPQNCQEFLESSEVINWKQHLQIQSSQSHLNKTIQNLASIQSFQIKHSENILYVSSETIKKLFPSLLDTKNLSTGSGKPKAIDQDKFKLSSLDVVHAALVNKFWLFGGNER...
1,535
1,091
919
1,256
AF-Q91XE0-F1-model_v4.pdb
MNRRDAIKTLGAGAIAGALATRIPLSISQTPPQINYSNLVPKEFGWAPVNNIHIYYEIYGSGEPLIMIMGYLGNLESWGPIIINGLASQYEVIIFDNRGTGRSGTVGQDPLHDALTYTIPLYASDTIGLLNYLGYSNLNVLGWSMGGFVAQQIAIDYPSYVNKLVLLCTAPNIYLYPPKVSPQSIITGFTASDPTVTVETIIPYLVPSDWLQAHPDVAKYVLFTLEKYPISYTSVLKQTNALATFNSVGQLQNITAPTLVIGGDSDLLLPPQNSQYLAENIPNAQLYIFSPDAGHGLIYQYPTQFINLVTSFLG
brenda
M5DDN2
CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
1,138
0
60
8
3.1.1.1
2,287
3.056142
CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O
CCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
3.056142
CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O__MNRRDAIKTLGAGAIAGALATRIPLSISQTPPQINYSNLVPKEFGWAPVNNIHIYYEIYGSGEPLIMIMGYLGNLESWGPIIINGLASQYEVIIFDNRGTGRSGTVGQDPLHDALTYTIPLYASDTIGLLNYLGYSNLNVLGWSMGGFVAQQIAIDYPSYVNKLVLLCTAPNIYLYPPKVSPQSIITGFTASDPTVTVETIIPYLVPSDWLQAHPDVAKYVLFTLEKYPISYTSVLKQTNALATFNSVGQLQNITAPTLVIGGDSDLLLPPQN...
3,242
2,067
3,723
2,577
AF-M5DDN2-F1-model_v4.pdb
MAMISLQAMRKAQRAQGPATILAVGTANPPNLYEQDTYPDYYFRVTNSEHKQELKNKFRLMCEKTMVKRRYLYLTPEILKERPKLCSYMEPSFDDRQDIVVEEVPKLAAEAAENAIKEWGGDKSAITHLVFCSISGIDMPGADYRLAQLLGLPLAVNRLMLYSQACHMGAAMLRIAKDIAENNRSARVLVVACEITVLSFRGPDERDFQALAGQAGFGDGAGAMIVGADPVLGVERPLYHIMSATQTTVPESEKAVGGHLREVGLTFHFFNQLPAIIADNVGNSLAEAFEPIGIKDWNNIFWVAHPGNWAIMDAIETKLG...
brenda
C6L7V8
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.CC(O)=NCCSC(=O)CC(=O)/C=C/c1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NCCS.O=C(/C=C(O)/C=C/c1ccccc1)/C=C/c1c...
0.0157
1.831315
37
7.5
2.3.1.219
136,217
-1.8041
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.CC(O)=NCCSC(=O)CC(=O)/C=C/c1ccccc1.O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NCCS.O=C(/C=C(O)/C=C/c1ccccc1)/C=C/c1ccc(O)cc1
-1.8041
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.CC(O)=NCCSC(=O)CC(=O)/C=C/c1ccccc1.O__MAMISLQAMRKAQRAQGPATILAVGTANPPNLYEQDTYPDYYFRVTNSEHKQELKNKFRLMCEKTMVKRRYLYLTPEILKERPKLCSYMEPSFDDRQDIVVEEVPKLAAEAAENAIKEWGGDKSAITHLVFCSISGIDMPGADYRLAQLLGLPLA...
1,656
1,262
4,541
1,488
AF-C6L7V8-F1-model_v4.pdb
MTRLDSVERAVADIAAGKAVIVIDDEDRENEGDLIFAAEKATPEMVAFMVRYTSGYLCVPLDGAICDRLGLLPMYAVNQDKHGTAYTVTVDARNGIGTGISASDRATTMRLLADPTSVADDFTRPGHVVPLRAKDGGVLRRPGHTEAAVDLARMAGLQPAGAICEIVSQKDEGSMAHTDELRVFADEHGLALITIADLIEWRRKHEKHIERVAEARIPTRHGEFRAIGYTSIYEDVEHVALVRGEIAGPNADGDDVLVRVHSECLTGDVFGSRRCDCGPQLDAALAMVAREGRGVVLYMRGHEGRGIGLMHKLQAYQLQD...
brenda
P9WHF1
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O>>N=c1nc(O)c(N)c(N[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)[nH]1.O=P(O)(O)OP(=O)(O)O
0.005
0.931156
37
8
3.5.4.25
1,773
-2.30103
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O
N=c1nc(O)c(N)c(N[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)[nH]1.O=P(O)(O)OP(=O)(O)O
-2.30103
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O__MTRLDSVERAVADIAAGKAVIVIDDEDRENEGDLIFAAEKATPEMVAFMVRYTSGYLCVPLDGAICDRLGLLPMYAVNQDKHGTAYTVTVDARNGIGTGISASDRATTMRLLADPTSVADDFTRPGHVVPLRAKDGGVLRRPGHTEAAVDLARMAGLQPAGAICEIVSQKDEGSMAHTDELRVFADEHGLALITIADLIEWRRKHEKHIERVAEARIPTRHGEFRAIGYTSIY...
2,514
4,947
2,022
4,876
AF-P9WHF1-F1-model_v4.pdb
MNETPTRVYAEIDLDAVRANVRALRARAPRSALMAVVKSNAYGHGAVPCARAAQEAGAAWLGTATPEEALELRAAGIQGRIMCWLWTPGGPWREAIETDIDVSVSGMWALDEVRAAARAAGRTARIQLKADTGLGRNGCQPADWAELVGAAVAAQAEGTVQVTGVWSHFACADEPGHPSIRLQLDAFRDMLAYAEKEGVDPEVRHIANSPATLTLPETHFDLVRTGLAVYGVSPSPELGTPAQLGLRPAMTLRASLALVKTVPAGHGVSYGHHYVTESETHLALVPAGYADGIPRNASGRGPVLVAGKIRRAAGRIAMDQ...
brenda
Q65YW7
C[C@H](N)C(=O)O>>C[C@@H](N)C(=O)O
55
0
25
8.2
5.1.1.1
1,914
1.740363
C[C@H](N)C(=O)O
C[C@@H](N)C(=O)O
1.740363
C[C@H](N)C(=O)O__MNETPTRVYAEIDLDAVRANVRALRARAPRSALMAVVKSNAYGHGAVPCARAAQEAGAAWLGTATPEEALELRAAGIQGRIMCWLWTPGGPWREAIETDIDVSVSGMWALDEVRAAARAAGRTARIQLKADTGLGRNGCQPADWAELVGAAVAAQAEGTVQVTGVWSHFACADEPGHPSIRLQLDAFRDMLAYAEKEGVDPEVRHIANSPATLTLPETHFDLVRTGLAVYGVSPSPELGTPAQLGLRPAMTLRASLALVKTVPAGHGVSYGHHYVTESETHLALVPAGYADGIPRNASGRGPV...
3,641
3,627
1,418
3,380
AF-Q65YW7-F1-model_v4.pdb
MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPA...
brenda
S5U4F4
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)cc1.[H+]
0.278
0.225228
30
6.5
1.3.1.102
157,224
-0.555955
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1
N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)cc1.[H+]
-0.555955
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1__MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQF...
2,392
4,788
4,846
4,692
AF-S5U4F4-F1-model_v4.pdb
MNVEEMKKIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPNLNLIKGRGAALTMEKIIEYRAGTFIVLVDERKLVDYLCQKMPVPIEVIPQAWKAIIEELSIFNAKAELRMGVNKDGPVITDNGNFIIDAKFPRIDDPLDMEIELNTIPGVIENGIFADIADIVIVGTREGVKKLER
brenda
O50083
O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O
50
0
50
6
5.3.1.6
53,953
1.69897
O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O
O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O
1.69897
O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O__MNVEEMKKIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPNLNLIKGRGAALTMEKIIEYRAGTFIVLVDERKLVDYLCQKMPVPIEVIPQAWKAIIEELSIFNAKAELRMGVNKDGPVITDNGNFIIDAKFPRIDDPLDMEIELNTIPGVIENGIFADIADIVIVGTREGVKKLER
800
3,294
5,604
6,490
AF-O50083-F1-model_v4.pdb
MDPIQLLFYVNGQKVVEKNVDPEMMLLPYLRKNLRLTGTKYGCGGGGCGACTVMISRYNPSTKAIRHHPVNACLTPICSLHGTAVTTVEGLGNTRTRLHPIQERIAKCHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLTDALGGNLCRCTGYRPIIDACKTFCKASACCQSKENGVCCLDQEINGLAESQEEDKTSPELFSEEEFLPLDPTQELIFPPELMRIAEKQPPKTRVFYGERVTWISPVTLKELVEAKFKYPQAPIVMGYTSVGPEVKFKGVFHPIIISPDRIEELGVISQARDGLTLGAGLSLDQVKDILAD...
brenda
O54754
O.O=Cc1ccc(O)cc1O.O=O>>O=C(O)c1ccc([O-])cc1O.OO
1.65
0.267898
37
8
1.2.3.1
10,090
0.217484
O.O=Cc1ccc(O)cc1O.O=O
O=C(O)c1ccc([O-])cc1O.OO
0.217484
O.O=Cc1ccc(O)cc1O.O=O__MDPIQLLFYVNGQKVVEKNVDPEMMLLPYLRKNLRLTGTKYGCGGGGCGACTVMISRYNPSTKAIRHHPVNACLTPICSLHGTAVTTVEGLGNTRTRLHPIQERIAKCHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLTDALGGNLCRCTGYRPIIDACKTFCKASACCQSKENGVCCLDQEINGLAESQEEDKTSPELFSEEEFLPLDPTQELIFPPELMRIAEKQPPKTRVFYGERVTWISPVTLKELVEAKFKYPQAPIVMGYTSVGPEVKFKGVFHPIIISPDRIEELGVIS...
1,051
609
276
303
AF-O54754-F1-model_v4.pdb
MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
brenda
Q6XEC0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12.O>>
0.038
99.671416
30
7
3.5.2.6
573
-1.420216
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12.O
null
-1.420216
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12.O__MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQE...
1,244
3,061
598
685
AF-Q6XEC0-F1-model_v4.pdb
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPP...
sabio
P00811
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O>>
0.17
99.789247
null
8.2
3.5.2.6
562
-0.769551
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O
null
-0.769551
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O__MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLD...
1,456
965
6,261
1,070
AF-P00811-F1-model_v4.pdb
MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKT...
brenda
I6NC69
NCCCCN.O.O=O>>N.NCCCC=O.OO
1.9
0
25
8
1.4.3.21
355,589
0.278754
NCCCCN.O.O=O
N.NCCCC=O.OO
0.278754
NCCCCN.O.O=O__MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELF...
3,560
3,815
2,397
5,300
AF-I6NC69-F1-model_v4.pdb
MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAERVQAVMMPYTYTS...
brenda
B0V8W9
N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncn...
0.57
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7.5
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N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
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N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRY...
2,162
4,377
4,267
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AF-B0V8W9-F1-model_v4.pdb
MTNPSNSNLQALREELCTPGLDQGHLFEGWPETVDECNERQIALLTDLYMFSNMYPGGVAQYIRNGHELLARESEEVDFAALEMPPLIFEAPSLHRRTAERTALENAGTAMLCKTVFVLVAGGLGERLGYSSIKVSLPVETATNTTYLAYYLRWAQRVGGKEVPFVIMTSDDTHDRTLQLLRELQLEVPNLHVLKQGQVFCFADSAAHLALDETGKLLRKPHGHGDVHSLIYNATVKRDVVPDSGDGTATAQPLVNDWLAAGYESIVFIQDTNAGATITIPISLALSAEHSLDMNFTCIPRVPKEPIGLLCRTKKNSGDP...
brenda
D3G6S4
O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O>>O=C(O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
13
0
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7.8
2.7.7.64
5,664
1.113943
O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
O=C(O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
1.113943
O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O__MTNPSNSNLQALREELCTPGLDQGHLFEGWPETVDECNERQIALLTDLYMFSNMYPGGVAQYIRNGHELLARESEEVDFAALEMPPLIFEAPSLHRRTAERTALENAGTAMLCKTVFVLVAGGLGERLGYSSIKVSLPVETATNTTYLAYYLRWAQRVGGKEVPFVIMTSDDTHDRTLQLLRELQLEVPN...
683
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5,784
6,690
AF-D3G6S4-F1-model_v4.pdb
MLRSCAARLRTLGALCLPPVGRRLPGSEPRPELRSFSSEEVILKDCSVPNPSWNKDLRLLFDQFMKKCEDGSWKRLPSYKRTPTEWIQDFKTHFLDPKLMKEEQMSQAQLFTRSFDDGLGFEYVMFYNDIEKRMVCLFQGGPYLEGPPGFIHGGAIATMIDATVGMCAMMAGGIVMTANLNINYKRPIPLCSVVMINSQLDKVEGRKFFVSCNVQSVDEKTLYSEATSLFIKLNPAKSLT
brenda
Q5T1C6
CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC/C=C\CCCCCCCC(=O)O
11.5
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CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC/C=C\CCCCCCCC(=O)O
1.060698
CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O__MLRSCAARLRTLGALCLPPVGRRLPGSEPRPELRSFSSEEVILKDCSVPNPSWNKDLRLLFDQFMKKCEDGSWKRLPSYKRTPTEWIQDFKTHFLDPKLMKEEQMSQAQLFTRSFDDGLGFEYVMFYNDIEKRMVCLFQGGPYLEGPPGFIHGGAIATMIDATVGMCAMMAGGIVMTANLNINY...
1,649
1,253
1,735
1,469
AF-Q5T1C6-F1-model_v4.pdb
MKAVVVPGKQKGYRIEEVSDPIPGKDEVVIRVNRAALCYRDLLQLQGFYPRMKYPVILGHEVVGTIEQIGENAKGFKEGDKVISLLYAPDGTCHYCQMGEEAYCHSRVGYSEELDGFFAEKAKVKVTSIVKVGTNVPDEGAVLVPCVTGMVYRSLRRAKLQKGETVLVTGASGGVGIHAIQVAKALGAKVIGVTTSEEKAAFIRKFADHVIVGSKFSEEAKKIGDVNVVIDTVGTPTIDESLKSLWMGGRLVQIGNVDPTQIYQLRLGYVILKDIAIIGHASATKRDAEETLKLTGEGKINPVIAATVGLDEIDKGYEIL...
uniprot_search
Q9UXF1
CCC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCC(C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
1.93
0
65
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2,287
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CCC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]
CCC(C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
0.285557
CCC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]__MKAVVVPGKQKGYRIEEVSDPIPGKDEVVIRVNRAALCYRDLLQLQGFYPRMKYPVILGHEVVGTIEQIGENAKGFKEGDKVISLLYAPDGTCHYCQMGEEAYCHSRVGYSEELDGFFAEKAKVKVTSIVKVGTNVPDEGAVLVPCVTGMVYRSLRRAKLQKGETVLVTGASGGVGIH...
1,320
3,884
6,201
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AF-Q9UXF1-F1-model_v4.pdb
MAERVLTRVHSLRERVDATLAAHRNEILLFLSRIESHGKGILKPHELLAEFDAIRQDDKNKLNEHAFEELLKSTQEAIVLPPWVALAIRLRPGVWEYIRVNVNALVVEELSVPEYLQFKEELVDGASNGNFVLELDFEPFTASFPKPTLTKSIGNGVEFLNRHLSAKMFHDKESMTPLLEFLRAHHYKGKTMMLNDRIQNSNTLQNVLRKAEEYLIMLPPETPYFEFEHKFQEIGLEKGWGDTAERVLEMVCMLLDLLEAPDSCTLEKFLGRIPMVFNVVILSPHGYFAQENVLGYPDTGGQVVYILDQVPALEREMLKR...
sabio
P10691
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.OCC1(O)OCC(O)C1O>>O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1
4
27.841739
30
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4,113
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O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.OCC1(O)OCC(O)C1O
O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1
0.60206
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.OCC1(O)OCC(O)C1O__MAERVLTRVHSLRERVDATLAAHRNEILLFLSRIESHGKGILKPHELLAEFDAIRQDDKNKLNEHAFEELLKSTQEAIVLPPWVALAIRLRPGVWEYIRVNVNALVVEELSVPEYLQFKEELVDGASNGNFVLELDFEPFTASFPKPTLTKSIGNGVEFLNRHLSAKMFHDKESMTPLLEFLRAHHYKGKTMMLNDRIQNS...
98
2,583
2,881
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AF-P10691-F1-model_v4.pdb
MKKFDFVIENYSKQKLFSSFLPGIAGKNGIPLWVFYVNRGQCIASFGIENKANSILEFKPAGQSHTDTPLKGFRTFIKVDGRYYEPFSELTNFKREMRINKNSLEIEERNNELGLKVKVIYFVLPNEDFAALVRRVEIENEDKYEKHIEIIDGLPEVIPYGVSNGLYKEMGYTARAWMHVYNYEKKVPFYSVRTTIGDLEIVEEINNGYFYFASSGDELLEVIYDKNVLFGNSTSLQVPLVFKELGIKEVLRKEQYDENLLPSAFGVLERKLKDKVVINSMIGFSKEKGLINNNINTLKKDEYIISKKEEADLIVEELVS...
brenda
B7IED6
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
30.3
0
60
7.5
2.4.1.49
2,421
1.481443
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
O=P(O)(O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
1.481443
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O__MKKFDFVIENYSKQKLFSSFLPGIAGKNGIPLWVFYVNRGQCIASFGIENKANSILEFKPAGQSHTDTPLKGFRTFIKVDGRYYEPFSELTNFKREMRINKNSLEIEERNNELGLKVKVIYFVLPNEDFAALVRRVEIENEDKYEKHIEIIDGLPEVIPYGVSNGLYKEMGYTARAWMHVYNYEKKVPFYSVRTTIGDLEIVEEINNGYFYFASSGDELLEVIYD...
771
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5,937
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AF-B7IED6-F1-model_v4.pdb
MPVLNLNDPQAVERYEEFMRQSPYGQVTQDLGWAKVKNNWEPVDVYLEDDQGAIIAAMSMLLGDTPTDKKFAYASKGPVMDVTDVDLLDRLVDEAVKALDGRAYVLRFDPEVAYSDEFNTTLQDHGYVTRNRNVADAGMHATIQPRLNMVLDLTKFPDAKTTLDLYPSKTKSKIKRPFRDGVEVHSGNSATELDEFFKTYTTMAERHGITHRPIEYFQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGRKIWYMYAGSMDGNTYYAPYAVQSEMIQWALDTNTDLYDLGGIESESTDDSLYVFKHVFVKDAPREYIGE...
sabio
Q9EY50
CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O>>*C1OC(COP(=O)(O)OC2C(COP(=O)(O)OC3C(COP(=O)(O)O)OC(*)C3O)OC(*)C2O)C(O)C1O.CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(C...
39,000
22.665528
25
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1,629
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CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O
*C1OC(COP(=O)(O)OC2C(COP(=O)(O)OC3C(COP(=O)(O)O)OC(*)C3O)OC(*)C2O)C(O)C1O.CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(C)C(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O
4.591065
CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O__MPVLNLNDPQAVERYEEFMRQSPYGQVTQDLGWAKVKNNWEPVDVYLEDDQGAIIAAMSMLLGDTPTDKKFAYASKGPVMDVTDVDLLDRLVDEAVKALDGRAYVLRFDPEVAYSDEFNTTLQDHGYVTRNRNVADAGMHATIQPRLNMVLDLTKFPDAKTTLDLYPSKTKS...
897
395
28
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AF-Q9EY50-F1-model_v4.pdb
MEMAPTMDLEIRNGNGYGDSGEELLAAQAHIYNHIFNFISSMALKCAVELNIPEILHNHQPKAVTLSELVQALQIPQAKSACLYRLLRILVHSGFFAITKIQSEGDEEGYLPTLSSKLLLKNHPMSMSPCLLGLVNPTMVAPMHFFSDWFKRSDDMTPFEATHGASLWKYFGETPHMAEIFNEAMGCETRLAMSVVLKECKGKLEGISSLVDVGGGTGNVGRAIAEAFPNVKCTVLDLPQVVGNLKGSNNLEFVSGDMFQFIPPADVVFLKWILHDWNDEECIKILKRCKEAIPSKEEGGKLIIIDMVVNDHNKGSYEST...
brenda
A0A0N9HMN6
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
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93,608
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COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
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COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O__MEMAPTMDLEIRNGNGYGDSGEELLAAQAHIYNHIFNFISSMALKCAVELNIPEILHNHQPKAVTLSELVQALQIPQAKSACLYRLLRILVHSGFFAITKIQSEGDEEGYLPTLSSKLLLKNHPMSMSPCLLGLVNPTMVAPMHFFSDWFKRSDDMTPFEATHGASLWKYFGETPHMAEIFNEAMGCETRLAMSVV...
3,512
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AF-A0A0N9HMN6-F1-model_v4.pdb
MMTTFNRAIIPDAIRTNGATPNPWWSNAVVYQIYPRSFQDTNGDGFGDLKGITSRLDYLADLGVDVLWLSPVYKSPQDDNGYDISDYQDIDPLFGTLDDMDELLAEAHKRGLKVVMDLVVNHTSDEHAWFEASKNKDDEHADWYWWRPARPGTTPGEPGSEPNQWGSYFGGSAWEYCPERGEYYLHQFSKKQPDLNWENPAVRRAVYDMMNWWLDRGIDGFRMDVITLISKRTDANGRLPGEYGSELDDLPVGEEGYSNPNPFCADGPRQDEFLKEMRREVFAGREGFLTVGEAPGITPVRNEHITNPANGELDMLFLFD...
brenda
C0JP82
O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
12.5
48.648752
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O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
1.09691
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861
3,206
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6,390
AF-C0JP82-F1-model_v4.pdb
MEVKILSKKLIKPSSPTPSHLRHLTLTPVDRLAPPIKASNIFYYPAKGSNPAVDVERRNRLETSLSEILTRFYPLAGRYVRESHSVDCNDEGVEYLEAEVEGKLSRLLSRRNEVIEQVIQLAGGEFTNSLASVQVTVFACGGVTIGVRIRHSVVDGFTAAHFSSAWATASRESMDKVIWPSFDLASFLPVKDLPMVKPRPPPKIFGADKVMTRRFIFDGANISSLKAAACDPSFKREPSRVEAVTALIWRALMVVSRAKHGRLRTSLASHAMNLREKIVPPLPGICCGNLYTEVPATFMADSGKTELPNLKDLVGLLREV...
brenda
D7TU67
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.C...
0.92
0
30
6.5
2.3.1.215
29,760
-0.036212
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
-0.036212
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O__MEVKILSKKLIKPSSPTPSHLRHLTLTPVDRLAPPIKASNIFYYPAKGSNPAVDVERRNRLETSLSEILTRFYPLAGRYVRESHSVDCNDEGVEYLEAEVEGKLSRLLSRRN...
1,523
1,077
905
1,240
AF-D7TU67-F1-model_v4.pdb
MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKD...
sabio
A0A0H3PBA4
COc1cccc(OC)c1O.O=O>>O
42
81.952256
37
8
1.10.3.2
197
1.623249
COc1cccc(OC)c1O.O=O
O
1.623249
COc1cccc(OC)c1O.O=O__MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIY...
3,406
2,296
1,000
2,892
AF-A0A0H3PBA4-F1-model_v4.pdb
MAHRPPSPALASVLLALLLSGAARAAEIVGGHEAQPHSRPYMASLQMRGNPGSHFCGGTLIHPSFVLTAAHCLRDIPQRLVNVVLGAHNVRTQEPTQQHFSVAQVFLNNYDAENKLNDVLLIQLSSPANLSASVATVQLPQQDQPVPHGTQCLAMGWGRVGAHDPPAQVLQELNVTVVTFFCRPHNICTFVPRRKAGICFGDSGGPLICDGIIQGIDSFVIWGCATRLFPDFFTRVALYVDWIRSTLRRVEAKGRP
uniprot_search
P24158
CC(C)C[C@H](N=C(O)CCC(=O)O)C(O)=NC(C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C.O>>
22.2
99.85068
25
7.4
3.4.21.76
9,606
1.346353
CC(C)C[C@H](N=C(O)CCC(=O)O)C(O)=NC(C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C.O
null
1.346353
CC(C)C[C@H](N=C(O)CCC(=O)O)C(O)=NC(C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C.O__MAHRPPSPALASVLLALLLSGAARAAEIVGGHEAQPHSRPYMASLQMRGNPGSHFCGGTLIHPSFVLTAAHCLRDIPQRLVNVVLGAHNVRTQEPTQQHFSVAQVFLNNYDAENKLNDVLLIQLSSPANLSASVATVQLPQQDQPVPHGTQCLAMGWGRVGAHDPPAQVLQELNVTVVTFFCRPHNICTFVPRRKAGICFGDSGGPLICD...
1,869
1,572
3,137
1,906
AF-P24158-F1-model_v4.pdb
MVPIKRQSNSTVDSLPPLIPSRTSAPSSSPSTTDPEAPAMSRNGPLPSDVETKYGMALNATSYPDSVVQAMSINGGIRAATSQEINELKYYTILSANSYCRTVIPGATWDCIHCDATEDLKIIKTWSTLIYDTNAMVARGDSEKTIYIVFRGSSSIRNWIADLTFVPVSYPPVSGTKVHKGFLDSYGEVQNELVATVLDQFKQYPSYKVAVTGHSLGGATVLLCALDLYQREEGLSSSNLFLYTQGQPRVGDPAFANYVVSTGIPYRRTVNERDIVPHLPPAAFGFLHAGEEYWITDNSPITVQVCTSDLETSDCSNSIV...
brenda
A0A2D3HJ61
CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
24.05
0
45
8
3.1.1.3
4,839
1.381115
CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O
CCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
1.381115
CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O__MVPIKRQSNSTVDSLPPLIPSRTSAPSSSPSTTDPEAPAMSRNGPLPSDVETKYGMALNATSYPDSVVQAMSINGGIRAATSQEINELKYYTILSANSYCRTVIPGATWDCIHCDATEDLKIIKTWSTLIYDTNAMVARGDSEKTIYIVFRGSSSIRNWIADLTFVPVSYPPVSGTKVHKGFLDSYGEVQNELVATVLDQFKQYPSYKVAVTGHSLGGATVLLCALDLYQREEGLSSSNLFLYTQGQPRVGDPAFANYVVSTGIPYRRTVNERDIVPHLPP...
3,291
2,127
3,799
2,661
AF-A0A2D3HJ61-F1-model_v4.pdb
MQEKTKRIIKEDIEAVRAYSDCFDVEMPDLDENGEVIGLPAPYPREVAGTVRSGYRIYDLAKKAKERGWPIQNPILGRNTAEETYGESQEMYAYADKFDETLFHFVHAEATRHIDPLKGRELINQSRGKGGITPIGEREFIAMGGGSKHPVRINATGDTPHLSIINALIAGFDGTDIGPVIHVHFGGRGIHDYKTKVVNGYKAIQICAENNIFVQLDSHKHLNNIGGTDGMALAMCLLSEGLAVHAGLPWELSAIQMNVAGINIYADLAVMRAFRKACHSKSIIAVPETFQNPPGNLVAEAAHFSRMAVTAKLGGADFYR...
uniprot_search
Q59268
C=C(C(=O)O)[C@@H](C)C(=O)O>>C=C(CCC(=O)[O-])C(=O)[O-]
1.1
0.701862
25
7.75
5.4.99.4
1,528
0.041393
C=C(C(=O)O)[C@@H](C)C(=O)O
C=C(CCC(=O)[O-])C(=O)[O-]
1.255273
C=C(C(=O)O)[C@@H](C)C(=O)O__MQEKTKRIIKEDIEAVRAYSDCFDVEMPDLDENGEVIGLPAPYPREVAGTVRSGYRIYDLAKKAKERGWPIQNPILGRNTAEETYGESQEMYAYADKFDETLFHFVHAEATRHIDPLKGRELINQSRGKGGITPIGEREFIAMGGGSKHPVRINATGDTPHLSIINALIAGFDGTDIGPVIHVHFGGRGIHDYKTKVVNGYKAIQICAENNIFVQLDSHKHLNNIGGTDGMALAMCLLSEGLAVHAGLPWELSAIQMNVAGINIYADLAVMRAFRKACHSKSIIAVPETFQN...
1,083
653
333
375
AF-Q59268-F1-model_v4.pdb
MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLA...
uniprot_search
A0A6A5PUY7
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
1
0
37
8
2.7.1.20
4,932
0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1__MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFK...
2,410
4,812
4,874
4,723
AF-A0A6A5PUY7-F1-model_v4.pdb
MKNNTRNFNIGNVIHGKRLIITEEKLMSNNAVSTKSALNFLDINVTEVNNYPTAIQDIIIDRRFDGMIIRGVLPLDSIERVIRRLEDEDEGGMKLIFNKNEEFGTKVAQIYGHVIVGQSPDLKDYFASSAIFRQACRALFQGNPDFEERVESVFHSLCGLPVEIPTGPEGQSYTPATLRLLTEGREITVHVGNDFLLMPASEHLKTLLDFSDQLSYFIPLSVPQAGGELVVYNLEWNPEQAEQSGDLHKYMNDADSRFQSQQSQSVAFAPGPGDMILFNGGRYYHRVNQVIGNSPRRTIGGFLAFSKERNKIYYWS
brenda
A0A076NA91
C=C[C@]1(C#N)CC[C@H]2[C@@H](c3c([nH]c4ccccc34)C2(C)C)[C@H]1C.O=C(O)CCC(=O)C(=O)O.O=O.[Cl-]>>O.O=C(O)CCC(=O)O.O=C=O.[C-]#[N+][C@@H]1[C@@H]2c3c([nH]c4ccccc34)C(C)(C)[C@H]2C[C@@H](Cl)[C@@]1(C)C=C
1.7
0.097112
null
null
1.14.20.14
56,108
0.230449
C=C[C@]1(C#N)CC[C@H]2[C@@H](c3c([nH]c4ccccc34)C2(C)C)[C@H]1C.O=C(O)CCC(=O)C(=O)O.O=O.[Cl-]
O.O=C(O)CCC(=O)O.O=C=O.[C-]#[N+][C@@H]1[C@@H]2c3c([nH]c4ccccc34)C(C)(C)[C@H]2C[C@@H](Cl)[C@@]1(C)C=C
0.230449
C=C[C@]1(C#N)CC[C@H]2[C@@H](c3c([nH]c4ccccc34)C2(C)C)[C@H]1C.O=C(O)CCC(=O)C(=O)O.O=O.[Cl-]__MKNNTRNFNIGNVIHGKRLIITEEKLMSNNAVSTKSALNFLDINVTEVNNYPTAIQDIIIDRRFDGMIIRGVLPLDSIERVIRRLEDEDEGGMKLIFNKNEEFGTKVAQIYGHVIVGQSPDLKDYFASSAIFRQACRALFQGNPDFEERVESVFHSLCGLPVEIPTGPEGQSYTPATLRLLTEGREITVHVGNDFLLMPASEHLKTLLDFSDQLSYFIPLSVPQAGGE...
1,221
3,030
560
641
AF-A0A076NA91-F1-model_v4.pdb
MQTERGPIAAHRPHEVVFGKVEGLDRGANPMDPPRRRVDPLFWLRDDNRADPEVLAHLHLEKDYYEKRAVDIKDLAETIYQEHISHIEETDMSAPYVYDRFLYYTRDVKGLSYKLHCRVPAGKTPGEGEDEEIVLDENKLAEGKSFCVVGCVAPAPPEHALVAYSVDYCGDEVYSIRFVRDVVADKVEGTNGSVVWGPNAECFFYITKDASKRDNKVWRHIIGQPQSEDVCLYTDDDPLFSVGVGRSGDGKTLIICSMSSETSESHLLDLRKGVKHNTLEMVRPREKGVRYTVEMHGTDTLIVLTNKDKCVNGKVVLTKR...
brenda
Q6QDP1
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)OC(C)(C)C)ccc12.O>>CC(C)(C)OC(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
81
0
37
8
3.4.21.83
5,697
1.908485
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)OC(C)(C)C)ccc12.O
CC(C)(C)OC(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
2.004321
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)OC(C)(C)C)ccc12.O__MQTERGPIAAHRPHEVVFGKVEGLDRGANPMDPPRRRVDPLFWLRDDNRADPEVLAHLHLEKDYYEKRAVDIKDLAETIYQEHISHIEETDMSAPYVYDRFLYYTRDVKGLSYKLHCRVPAGKTPGEGEDEEIVLDENKLAEGKSFCVVGCVAPAPPEHALVAYSVDYCGDEVYSIRFVRDVVADKVEGTNGSVVWGPNAECFFYITKDASKRDNKVWRHIIGQPQS...
2,916
1,636
3,241
2,028
AF-Q6QDP1-F1-model_v4.pdb
MSEYRIEHDSMGEVRVPADAKWRAQTQRAVENFPVSGQRIERAHIEALARIKGAAAKVNAELGVLDEDVAGAIQEAAGEVAEGKWDEHFPVDVFQTGSGTSSNMNTNEVVATLASERLGRDVHPNDHVNASQSSNDVFPSSIHIAATAAVTRDLIPALDHLAGALERKAGEFADVVKSGRTHLMDATPVTLGQEFGGYAAQVRYGIERLQASLPRLAELPLGGTAVGTGINTPPGFSAAVIEEVARATGLPLTEARDHFEAQGARDGIVETSGQLRTIGVGLTKIANDLRWMASGPRTGLAEISLPDLQPGSSIMPGKVN...
uniprot_search
C6KHW3
O=C(O)C[C@H](O)C(=O)O>>O.O=C(O)/C=C/C(=O)O
65
0
40
6.5
4.2.1.2
1,916
1.812913
O=C(O)C[C@H](O)C(=O)O
O.O=C(O)/C=C/C(=O)O
2.792392
O=C(O)C[C@H](O)C(=O)O__MSEYRIEHDSMGEVRVPADAKWRAQTQRAVENFPVSGQRIERAHIEALARIKGAAAKVNAELGVLDEDVAGAIQEAAGEVAEGKWDEHFPVDVFQTGSGTSSNMNTNEVVATLASERLGRDVHPNDHVNASQSSNDVFPSSIHIAATAAVTRDLIPALDHLAGALERKAGEFADVVKSGRTHLMDATPVTLGQEFGGYAAQVRYGIERLQASLPRLAELPLGGTAVGTGINTPPGFSAAVIEEVARATGLPLTEARDHFEAQGARDGIVETSGQLRTIGVGLTKIANDLRWMASGPR...
649
26
5,732
6,634
AF-C6KHW3-F1-model_v4.pdb
MENGATTTSTITIKGILSLLMESITTEEDEGGKRVISLGMGDPTLYSCFRTTQVSLQAVSDSLLSNKFHGYSPTVGLPQARRAIAEYLSRDLPYKLSQDDVFITSGCTQAIDVALSMLARPRANILLPRPGFPIYELCAKFRHLEVRYVDLLPENGWEIDLDAVEALADENTVALVVINPGNPCGNVYSYQHLMKIAESAKKLGFLVIADEVYGHLAFGSKPFVPMGVFGSIVPVLTLGSLSKRWIVPGWRLGWFVTTDPSGSFKDPKIIERFKKYFDILGGPATFIQAAVPTILEQTDESFFKKTLNSLKNSSDICCDW...
brenda
Q9FN30
CSCCC(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>
0.7
99.662519
30
8.5
2.6.1.5
3,702
-0.154902
CSCCC(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
null
-0.154902
CSCCC(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O__MENGATTTSTITIKGILSLLMESITTEEDEGGKRVISLGMGDPTLYSCFRTTQVSLQAVSDSLLSNKFHGYSPTVGLPQARRAIAEYLSRDLPYKLSQDDVFITSGCTQAIDVALSMLARPRANILLPRPGFPIYELCAKFRHLEVRYVDLLPENGWEIDLDAVEALADENTVALVVINPGNPCGNVYSYQHLMKIAESAKKLGFLVIADEVYGHLAFGSKPFVPMGVFGSIVPVLTLGSLSKRWIVPGWRLGWFVTTDPSGSFKDPKIIERFKKYFDI...
3,590
3,553
1,336
3,293
AF-Q9FN30-F1-model_v4.pdb
MKLNRRDFVRLAAMSVFAQPVLAALPSVEEARRFRLELRPEQRNWIPQSEMPVDLWGLSDSQLTLRQGEPVEIEVVNQLPEPTTLHWHGLRIENAMDGVSGLTQEPIPPGGTFTYRFTPEDAGTFWAHSHHKTYEQLARGLYLPVVVEEKIASDTDQDILMVIDDWRVNNEGQLDSESLGSLHEWAHGGRLGNFLTINKEVQPSFTVKAGSRVRLRLLNTANARIFAVDLPEVPAWILAKDGQPLANLMQVTETVVMAPAERYDLILDIPRDAEGQLSVTMPTDRAPIEMAYLQVEGLHESERVQSPDPLPANPIEEISP...
sabio
G8IJH7
COc1cccc(OC)c1O.O=O>>O
17.83
81.952256
45
7.5
1.10.3.2
2,725
1.251151
COc1cccc(OC)c1O.O=O
O
1.251151
COc1cccc(OC)c1O.O=O__MKLNRRDFVRLAAMSVFAQPVLAALPSVEEARRFRLELRPEQRNWIPQSEMPVDLWGLSDSQLTLRQGEPVEIEVVNQLPEPTTLHWHGLRIENAMDGVSGLTQEPIPPGGTFTYRFTPEDAGTFWAHSHHKTYEQLARGLYLPVVVEEKIASDTDQDILMVIDDWRVNNEGQLDSESLGSLHEWAHGGRLGNFLTINKEVQPSFTVKAGSRVRLRLLNTANARIFAVDLPEVPAWILAKDGQPLANLMQVTETVVMAPAERYDLILDIPRDAEGQLSVTMPTDRAPIEMAYLQVEGLH...
3,546
3,493
1,255
3,198
AF-G8IJH7-F1-model_v4.pdb
MAWSVTGSPGLFRREAGAFVSARPDRHTMLLSALDSLERAPLAGAGTAARLGWWREASDAPVTAAFVGTPHLTVATALPPDAVRGLARSLLTHAHPYAGLMSDEASVRAFEAAWEKETGAAPGAGPRLRLHRLDRLVPPVGAPPGAARVATEDDRPLLRAWCDRFVAEAGSLGADLDRFVDERIAEGGWRIWSVDDEPVATAARTTVVAATARITPVYVPPPHRGRGYGAAVTAAVSRAARDAGAEHVLLFTDLSNPVSNRLYARIGYRPVADYRIVTP
brenda
D2CFQ9
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCCCNCCCN>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NCCCNCCCCN
0.922
0
30
8
2.3.1.57
1,931
-0.035269
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCCCNCCCN
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NCCCNCCCCN
-0.035269
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCCCNCCCN__MAWSVTGSPGLFRREAGAFVSARPDRHTMLLSALDSLERAPLAGAGTAARLGWWREASDAPVTAAFVGTPHLTVATALPPDAVRGLARSLLTHAHPYAGLMSDEASVRAFEAAWEKETGAAPGAGPRLRLHRLDRLVPPVGAPPGAARVATEDDRPLLRAWCDRFVAEAGSLGADLDRFVDERIAEGGWRIW...
1,536
1,092
920
1,257
AF-D2CFQ9-F1-model_v4.pdb
MELIRHTINSFFNERVKKTPNKVAIVFGDDAYTWLELDQISDGIALELLKSDVKKGTHVGIWSLNSPLFMLYFLALAKIGAVTVLINTRCHLSELEDLLDYADVTVLCYGEDSNTLKFLETIEQLDRKRLLLMKKIIAIGKNKKDIPAQCKKKLIEGDDLKLIGNAKKDVFPDDVLGILFTSGTTSAAKGVMLSHFATINIAIETVTQMHWNENDKSCLGIPLFHCFGLSSGFMAGIYAGIEIYLLENYQTIRVLKCVETNQCTIFNGVPTMFMAMIKHPRFKTYNLSLLNSGIIAGSYVNANDYLSICKELKMEKLQMS...
brenda
F1CYZ6
CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c...
5.5
0
30
7
6.2.1.12
33,952
0.740363
CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
0.740363
CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MELIRHTINSFFNERVKKTPNKVAIVFGDDAYTWLELDQISDGIALELLKSDVKKGTHVGIWSLNSPLFMLYFLALAKIGAVTVLINTRCHLSELEDLLDYADVTVLCYGEDSNTLKFLETIEQL...
1,416
929
728
1,023
AF-F1CYZ6-F1-model_v4.pdb
MMRKSVRRAMLMTTACVSLLLASVPLCAQANDVQQKLAALEKSSGGRLGVALINTADNTQTLYRADERFAMCSTSKVMAVAAVLKQSETQKGLLSQRVEIKPSDLINYNPIAEKHVNGTMTFGELSAAALQYSDNTAMNKLIAHLGGPDKVTAFARTIGDDTFRLDRTEPTLNTAIPGDPRDTTTPLAMAQALRNLTLGNALGDTQRAQLVMWLKGNTTGAASIQAGLPTSWVVGDKTGSGGYGTTNDIAVIWPEGRAPLVLVTYFTQSEPKAESRRDVLAAAARIVTDGY
brenda
Q8KSA6
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O>>
8.2
99.752138
25
7.2
3.5.2.6
562
0.913814
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O
null
0.913814
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O__MMRKSVRRAMLMTTACVSLLLASVPLCAQANDVQQKLAALEKSSGGRLGVALINTADNTQTLYRADERFAMCSTSKVMAVAAVLKQSETQKGLLSQRVEIKPSDLINYNPIAEKHVNGTMTFGELSAAALQYSDNTAMNKLIAHLGGPDKVTAFARTIGDDTFRLDRTEPTLNTAIPGDPRDTTTPLAMAQALRNLTLGNALGDTQRAQLVMWLKGNTTGAASIQAGLPTSWVVGDKTGSGGYGTTNDIA...
1,458
649
811
1,084
AF-Q8KSA6-F1-model_v4.pdb