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
MVPLVAVVSGPRAQLFACLLRLGTQQVGPLQLHTGASHAARNHYEVLVLGGGSGGITMAARMKRKVGAENVAIVEPSERHFYQPIWTLVGAGAKQLSSSGRPTASVIPSGVEWIKARVTELNPDKNCIHTDDDEKISYRYLIIALGIQLDYEKIKGLPEGFAHPKIGSNYSVKTVEKTWKALQDFKEGNAIFTFPNTPVKCAGAPQKIMYLSEAYFRKTGKRSKANIIFNTSLGAIFGVKKYADALQEIIQERNLTVNYKKNLIEVRADKQEAVFENLDKPGETQVISYEMLHVTPPMSPPDVLKTSPVADAAGWVDVDKETLQHRRYPNVFGIGDCTNLPTSKTAAAVAAQSGILDRTISVIMKNQTPTKKYDGYTSCPLVTGYNRVILAEFDYKAEPLETFPFDQSKERLSMYLMKADLMPFLYWNMMLRGYWGGPAFLRKLFHLGMS
brenda
Q9Y6N5
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.S>>COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC.[S-]S
84
5.486631
25
6.8
1.8.5.4
9,606
1.924279
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.S
COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC.[S-]S
2.578639
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.S__MVPLVAVVSGPRAQLFACLLRLGTQQVGPLQLHTGASHAARNHYEVLVLGGGSGGITMAARMKRKVGAENVAIVEPSERHFYQPIWTLVGAGAKQLSSSGRPTASVIPSGVEWIKARVTELNPDKNCIHTDDDEKISYRYLIIALGIQLDYEKIKGLPEGFAHPKIGSNYSVKTVEKTWKALQDFKEGNAIFTFPNTPVKCAGAPQKIMYLSEAYFRKTGKRSKANIIFNTSLGAIFGVKKYADALQEIIQERNLTVNYKKNLIEVRADKQEAVFENLDKPGETQVISYEMLHVTPPMSPPDVLKTSPVADAAGWVDVDKETLQHRRYPNVFGIGDCTNLPTSKTAAAVAAQSGILDRTISVIMKNQTPTKKYDGYTSCPLVTGYNRVILAEFDYKAEPLETFPFDQSKERLSMYLMKADLMPFLYWNMMLRGYWGGPAFLRKLFHLGMS
1,008
544
200
217
AF-Q9Y6N5-F1-model_v4.pdb
MVLKQRANYLGFLIVFFTAFLVEAVPIKRQSNSTVDSLPPLIPSRTSAPSSSPSTTDPEAPAMSRNGPLPSDVETKYGMALNATSYPDSVVQAMSIDGGIRAATSQEINELTYYTTLSANSYCRTVIPGATWDCIHCDATEDLKIIKTWSTLIYDTNAMVARGDSEKTIYIVFRGSSSIRNWIADLTFVPVSYPPVSGTKVHKGFLDSYGEVQNELVATVLDQFKQYPSYKVAVTGHSLGGATALLCALDLYQREEGLSSSNLFLYTQGQPRVGDPAFANYVVSTGIPYRRTVNERDIVPHLPPAAFGFLHAGEEYWITDNSPETVQVCTSDLETSDCSNSIVPFTSVLDHLSYFGINTGLCT
sabio
P19515
C=COC(=O)CCC.O>>*CC(*)O.CCCC(=O)O
5,390
0
25
7
3.1.1.1
4,839
3.731589
C=COC(=O)CCC.O
*CC(*)O.CCCC(=O)O
3.731589
C=COC(=O)CCC.O__MVLKQRANYLGFLIVFFTAFLVEAVPIKRQSNSTVDSLPPLIPSRTSAPSSSPSTTDPEAPAMSRNGPLPSDVETKYGMALNATSYPDSVVQAMSIDGGIRAATSQEINELTYYTTLSANSYCRTVIPGATWDCIHCDATEDLKIIKTWSTLIYDTNAMVARGDSEKTIYIVFRGSSSIRNWIADLTFVPVSYPPVSGTKVHKGFLDSYGEVQNELVATVLDQFKQYPSYKVAVTGHSLGGATALLCALDLYQREEGLSSSNLFLYTQGQPRVGDPAFANYVVSTGIPYRRTVNERDIVPHLPPAAFGFLHAGEEYWITDNSPETVQVCTSDLETSDCSNSIVPFTSVLDHLSYFGINTGLCT
3,291
2,127
3,799
632
AF-P19515-F1-model_v4.pdb
MNLSLVLAAFCLGIASAVPKFDQNLDTKWYQWKATHRRLYGANEEGWRRAVWEKNMKMIELHNGEYSQGKHGFTMAMNAFGDMTNEEFRQMMGCFRNQKFRKGKVFREPLFLDLPKSVDWRKKGYVTPVKNQKQCGSCWAFSATGALEGQMFRKTGKLVSLSEQNLVDCSRPQGNQGCNGGFMARAFQYVKENGGLDSEESYPYVAVDEICKYRPENSVANDTGFTVVAPGKEKALMKAVATVGPISVAMDAGHSSFQFYKSGIYFEPDCSSKNLDHGVLVVGYGFEGANSNNSKYWLVKNSWGPEWGSNGYVKIAKDKNNHCGIATAASYPNV
uniprot_search
O60911
CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>
4
99.911911
37
5.5
3.4.22.43
9,606
0.60206
CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O
null
0.60206
CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O__MNLSLVLAAFCLGIASAVPKFDQNLDTKWYQWKATHRRLYGANEEGWRRAVWEKNMKMIELHNGEYSQGKHGFTMAMNAFGDMTNEEFRQMMGCFRNQKFRKGKVFREPLFLDLPKSVDWRKKGYVTPVKNQKQCGSCWAFSATGALEGQMFRKTGKLVSLSEQNLVDCSRPQGNQGCNGGFMARAFQYVKENGGLDSEESYPYVAVDEICKYRPENSVANDTGFTVVAPGKEKALMKAVATVGPISVAMDAGHSSFQFYKSGIYFEPDCSSKNLDHGVLVVGYGFEGANSNNSKYWLVKNSWGPEWGSNGYVKIAKDKNNHCGIATAASYPNV
1,940
1,585
3,176
1,948
AF-O60911-F1-model_v4.pdb
MDSKHQCVKLNDGHFMPVLGFGTYAPAEVPKNKALEATKLAIEAGFRHIDSAHLYNNEEYVGLAIRSKIADGTVKREDIFYTSKLWCNSHRPEFVRPALERSLKNLQLDYVDLYLIHFPVSLKPGEELIPKDENGKLLFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQRKLLDFCKSKDIVLVAFSALGSHREKPWVDQNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRENMKVFEFQLTSEDMKAIDGLDRNIRYLTLDIFAGPPNYPFSDEY
brenda
Q95JH7
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]1CCCc2ccccc21>>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
1,320
8.980645
25
7.4
1.3.1.20
9,541
3.120574
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]1CCCc2ccccc21
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
3.120574
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]1CCCc2ccccc21__MDSKHQCVKLNDGHFMPVLGFGTYAPAEVPKNKALEATKLAIEAGFRHIDSAHLYNNEEYVGLAIRSKIADGTVKREDIFYTSKLWCNSHRPEFVRPALERSLKNLQLDYVDLYLIHFPVSLKPGEELIPKDENGKLLFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQRKLLDFCKSKDIVLVAFSALGSHREKPWVDQNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRENMKVFEFQLTSEDMKAIDGLDRNIRYLTLDIFAGPPNYPFSDEY
1,329
1,150
197
3,204
AF-Q95JH7-F1-model_v4.pdb
MKTFTSALALVVGMLAPGAVVAAPPSTPAQRDLVELREARQEGGKDLRPREPTCNTPSNRACWSDGFDINTDYEVSTPDTGVTQSYVFNLTEVDNWMGPDGVVKEKVMLINGNIMGPNIVANWGDTVEVTVINNLVTNGTSIHWHGIHQKDTNLHDGANGVTECPIPPKGGQRTYRWRARQYGTSWYHSHFSAQYGNGVVGTIQINGPASLPYDIDLGVFPITDYYYRAADDLVHFTQNNAPPFSDNVLINGTAVNPNTGEGQYANVTLTPGKRHRLRILNTSTENHFQVSLVNHTMTVIAADMVPVNAMTVDSLFLAVGQRYDVVIDASRAPDNYWFNVTFGGQAACGGSLNPHPAAIFHYAGAPGGLPTDEGTPPVDHQCLDTLDVRPVVPRSVPVNSFVKRPDNTLPVALDLTGTPLFVWKVNGSDINVDWGKPIIDYILTGNTSYPVSDNIVQVDAVDQWTYWLIENDPEGPFSLPHPMHLHGHDFLVLGRSPDVPAASQQRFVFDPAVDLARLNGDNPPRRDTTMLPAGGWLLLAFRTDNPGAWLFHCHIAWHVSGGLSVDFLERPADLRQRISQEDEDDFNRVCDEWRAYWPTNPYPKIDSGLKRRRWVEESEWLVR
uniprot_search
Q70KY3
O=O.Oc1ccccc1O>>O.O=C1C=CC=CC1O
88
5.15527
25
5
1.10.3.2
204,285
1.944483
O=O.Oc1ccccc1O
O.O=C1C=CC=CC1O
1.944483
O=O.Oc1ccccc1O__MKTFTSALALVVGMLAPGAVVAAPPSTPAQRDLVELREARQEGGKDLRPREPTCNTPSNRACWSDGFDINTDYEVSTPDTGVTQSYVFNLTEVDNWMGPDGVVKEKVMLINGNIMGPNIVANWGDTVEVTVINNLVTNGTSIHWHGIHQKDTNLHDGANGVTECPIPPKGGQRTYRWRARQYGTSWYHSHFSAQYGNGVVGTIQINGPASLPYDIDLGVFPITDYYYRAADDLVHFTQNNAPPFSDNVLINGTAVNPNTGEGQYANVTLTPGKRHRLRILNTSTENHFQVSLVNHTMTVIAADMVPVNAMTVDSLFLAVGQRYDVVIDASRAPDNYWFNVTFGGQAACGGSLNPHPAAIFHYAGAPGGLPTDEGTPPVDHQCLDTLDVRPVVPRSVPVNSFVKRPDNTLPVALDLTGTPLFVWKVNGSDINVDWGKPIIDYILTGNTSYPVSDNIVQVDAVDQWTYWLIENDPEGPFSLPHPMHLHGHDFLVLGRSPDVPAASQQRFVFDPAVDLARLNGDNPPRRDTTMLPAGGWLLLAFRTDNPGAWLFHCHIAWHVSGGLSVDFLERPADLRQRISQEDEDDFNRVCDEWRAYWPTNPYPKIDSGLKRRRWVEESEWLVR
3,423
2,323
1,035
2,933
AF-Q70KY3-F1-model_v4.pdb
MMKGWIKCGLAGAVVLMASFWGGSVRAAGMSLTQVSGPVYVVEDNYYVQENSMVYFGAKGVTVVGATWTPDTARELHKLIKRVSSKPVLEVINNNYHTDRAGGNAYWKSIGAKVVSTRQTRELMKSDWAEIVAFTRKGLPEYPDLPLVLPNVVHDGDFTLQEGKLRAFYAGPAHTPDGIFVYFPDEQVLYGNCILKEKLGNLSFADVKAYPQTLERLKAMKLPIKTVVGGHDSPLHGPELIDHYEALIKAATHS
sabio
Q6X1Y9
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O>>
0.75
99.762165
30
7
3.5.2.6
644
-0.124939
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O
null
-0.124939
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O__MMKGWIKCGLAGAVVLMASFWGGSVRAAGMSLTQVSGPVYVVEDNYYVQENSMVYFGAKGVTVVGATWTPDTARELHKLIKRVSSKPVLEVINNNYHTDRAGGNAYWKSIGAKVVSTRQTRELMKSDWAEIVAFTRKGLPEYPDLPLVLPNVVHDGDFTLQEGKLRAFYAGPAHTPDGIFVYFPDEQVLYGNCILKEKLGNLSFADVKAYPQTLERLKAMKLPIKTVVGGHDSPLHGPELIDHYEALIKAATHS
1,463
1,689
3,301
1,133
AF-Q6X1Y9-F1-model_v4.pdb
MDPKFQRVALSDGHFIPVLGFGTYAPEEVPKSKAMEATKIAIDAGFRHIDSAYFYKNEKEVGLAIRSKIADGTVKREDIFYTSKLWCTFHRPELVRPSLEDSLKNLQLDYVDLYIIHFPTALKPGVEIIPTDEHGKAIFDTVDICATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQGKLLEFCKSKGIVLVAYSALGSHREPEWVDQSAPVLLEDPLIGALAKKHQQTPALIALRYQLQRGIVVLAKSFTEKRIKENIQVFEFQLPSEDMKVIDSLNRNFRYVTADFAIGHPNYPFSDEY
uniprot_search
P80508
CCCCCC(O)/C=C/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+]>>
0.009
99.889339
37
7.4
1.1.1.149
9,986
-2.045757
CCCCCC(O)/C=C/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+]
null
-2.045757
CCCCCC(O)/C=C/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+]__MDPKFQRVALSDGHFIPVLGFGTYAPEEVPKSKAMEATKIAIDAGFRHIDSAYFYKNEKEVGLAIRSKIADGTVKREDIFYTSKLWCTFHRPELVRPSLEDSLKNLQLDYVDLYIIHFPTALKPGVEIIPTDEHGKAIFDTVDICATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQGKLLEFCKSKGIVLVAYSALGSHREPEWVDQSAPVLLEDPLIGALAKKHQQTPALIALRYQLQRGIVVLAKSFTEKRIKENIQVFEFQLPSEDMKVIDSLNRNFRYVTADFAIGHPNYPFSDEY
1,329
1,150
197
619
AF-P80508-F1-model_v4.pdb
MARSITMQQRIEFGDCDPAGIVWFPNYHRWLDAASRNYFIKCGLPPWRQTVVERGIVGTPIVSCNASFVCTASYDDVLTIETCIKEWRRKSFVQRHSVSRTTPGGDVQLVMRADEIRVFAMNDGERLRAIEVPADYIELCS
sabio
P56653
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)c1ccccc1.O>>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.O=C(O)c1ccccc1
0.26
0
25
7.5
3.1.2.23
306
-0.585027
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)c1ccccc1.O
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.O=C(O)c1ccccc1
0
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)c1ccccc1.O__MARSITMQQRIEFGDCDPAGIVWFPNYHRWLDAASRNYFIKCGLPPWRQTVVERGIVGTPIVSCNASFVCTASYDDVLTIETCIKEWRRKSFVQRHSVSRTTPGGDVQLVMRADEIRVFAMNDGERLRAIEVPADYIELCS
1,647
1,251
1,733
1,467
AF-P56653-F1-model_v4.pdb
MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE
brenda
Q704Z0
CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>
0.0074
99.717044
30
7
3.5.2.6
180,434
-2.130768
CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O
null
-2.130768
CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O__MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE
1,456
986
797
1,111
AF-Q704Z0-F1-model_v4.pdb
MLLAQRRLISLGCRSKPIKTIYSSSKVLGLCTSAKMALKFKNAKRIEGLDSNVWVEFTKLAADPSVVNLGQGFPDISPPSYVKEELSKAAFIDNMNQYTRGFGHPALVKALSCLYGKIYQRQIDPNEEILVAVGAYGSLFNSIQGLVDPGDEVIIMVPFYDCYEPMVRMAGAVPVFIPLRSKPTDGMKWTSSDWTFDPRELESKFSSKTKAIILNTPHNPLGKVYTRQELQVIADLCVKHDTLCISDEVYEWLVYTGHTHVKIATLPGMWERTITIGSAGKTFSVTGWKLGWSIGPAHLIKHLQTVQQNSFYTCATPLQAALAEAFWIDIKRMDDPECYFNSLPKELEVKRDRMVRLLNSVGLKPIVPDGGYFIIADVSSLGADLSDMNSDEPYDYKFVKWMTKHKKLTAIPVSAFCDSKSKPHFEKLVRFCFIKKDSTLDAAEEIFRAWNSQKS
brenda
Q71RI9
CCC(=O)C(=O)[O-].N=C(O)C[C@H](N)C(=O)O>>CCC(N)C(=O)O.N=C(O)CC(=O)C(=O)O
2.93
0.215197
45
9
2.6.1.7
10,090
0.466868
CCC(=O)C(=O)[O-].N=C(O)C[C@H](N)C(=O)O
CCC(N)C(=O)O.N=C(O)CC(=O)C(=O)O
0.466868
CCC(=O)C(=O)[O-].N=C(O)C[C@H](N)C(=O)O__MLLAQRRLISLGCRSKPIKTIYSSSKVLGLCTSAKMALKFKNAKRIEGLDSNVWVEFTKLAADPSVVNLGQGFPDISPPSYVKEELSKAAFIDNMNQYTRGFGHPALVKALSCLYGKIYQRQIDPNEEILVAVGAYGSLFNSIQGLVDPGDEVIIMVPFYDCYEPMVRMAGAVPVFIPLRSKPTDGMKWTSSDWTFDPRELESKFSSKTKAIILNTPHNPLGKVYTRQELQVIADLCVKHDTLCISDEVYEWLVYTGHTHVKIATLPGMWERTITIGSAGKTFSVTGWKLGWSIGPAHLIKHLQTVQQNSFYTCATPLQAALAEAFWIDIKRMDDPECYFNSLPKELEVKRDRMVRLLNSVGLKPIVPDGGYFIIADVSSLGADLSDMNSDEPYDYKFVKWMTKHKKLTAIPVSAFCDSKSKPHFEKLVRFCFIKKDSTLDAAEEIFRAWNSQKS
1,303
3,859
6,175
827
AF-Q71RI9-F1-model_v4.pdb
MAVVYYLLLAGLIACSHALAAGTPALGDDRGRPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWNDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPRPGGGGASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
sabio
Q9T0N8
O.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21>>CC(C)=CC=O.CC(C)=CC=O
169.6
32.983162
37
6.5
1.5.99.12
4,577
2.229426
O.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21
CC(C)=CC=O.CC(C)=CC=O
2.229426
O.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21__MAVVYYLLLAGLIACSHALAAGTPALGDDRGRPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWNDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPRPGGGGASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
1,034
580
242
262
AF-Q9T0N8-F1-model_v4.pdb
MKNRRLNFKLFFLIIFSLFSTLSWSKTITLYLDPASLPALNQLMDFTQNNEDKTHPRIFGLSRFKIPDNIITQYQNIHFVELKDNRPTEALFTILDQYPGNIELNIHLNIAHSVQLIRPILAYRFKHLDRVSIQQLNLYDDGSMEYVDLEKEENKDISAEIKQAEKQLSHYLLTGKIKFDNPTIARYVWQSAFPVKYHFLSTDYFEKAEFLQPLKEYLAENYQKMDWTAYQQLTPEQQAFYLTLVGFNDEVKQSLEVQQAKFIFTGTTTWEGNTDVREYYAQQQLNLLNHFTQAEGDLFIGDHYKIYFKGHPRGGEINDYILNNAKNITNIPANISFEVLMMTGLLPDKVGGVASSLYFSLPKEKISHIIFTSNKQVKSKEDALNNPYVKVMRRLGIIDESQVIFWDSLKQL
brenda
Q15KI8
CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O.CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O>>CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1
0.55
0
37
8.5
2.4.99.6
747
-0.259637
CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O.CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1
1.50515
CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O.CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O__MKNRRLNFKLFFLIIFSLFSTLSWSKTITLYLDPASLPALNQLMDFTQNNEDKTHPRIFGLSRFKIPDNIITQYQNIHFVELKDNRPTEALFTILDQYPGNIELNIHLNIAHSVQLIRPILAYRFKHLDRVSIQQLNLYDDGSMEYVDLEKEENKDISAEIKQAEKQLSHYLLTGKIKFDNPTIARYVWQSAFPVKYHFLSTDYFEKAEFLQPLKEYLAENYQKMDWTAYQQLTPEQQAFYLTLVGFNDEVKQSLEVQQAKFIFTGTTTWEGNTDVREYYAQQQLNLLNHFTQAEGDLFIGDHYKIYFKGHPRGGEINDYILNNAKNITNIPANISFEVLMMTGLLPDKVGGVASSLYFSLPKEKISHIIFTSNKQVKSKEDALNNPYVKVMRRLGIIDESQVIFWDSLKQL
3,077
1,832
3,459
2,267
AF-Q15KI8-F1-model_v4.pdb
MIVIPPITDRKIRFALVGCGRIANNHFGALEKHADRAELIDVCDIDPAALKAAVERTGARGHASLTDMLAQTDADIVILTTPSGLHPTQSIECSEAGFHVMTEKPMATRWEDGLEMVKAADKAKKHLFVVKQNRRNATLQLLKRAMQEKRFGRIYMVNVNVFWTRPQEYYDAAGWRGTWEFDGGAFMNQASHYVDLLDWLIGPVESVQAYTATLARNIEVEDTGTVSVKWRSGALGSMNVTMLTYPKNLEGSITILGEKGSVRVGGVAVNEIQHWEFSEPHAMDEEIKDASYATTSVYGFGHPLYYDNVIKTMRGEATPETDGREGLKSLELLIAMYLSARDGRRVSLPLDY
brenda
Q7NQL0
CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](C(=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>>CC(O)=N[C@@H]1C(=O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[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+]
0.00031
0
25
8.5
1.1.1.335
536
-3.508638
CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](C(=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
CC(O)=N[C@@H]1C(=O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[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+]
-3.119186
CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](C(=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__MIVIPPITDRKIRFALVGCGRIANNHFGALEKHADRAELIDVCDIDPAALKAAVERTGARGHASLTDMLAQTDADIVILTTPSGLHPTQSIECSEAGFHVMTEKPMATRWEDGLEMVKAADKAKKHLFVVKQNRRNATLQLLKRAMQEKRFGRIYMVNVNVFWTRPQEYYDAAGWRGTWEFDGGAFMNQASHYVDLLDWLIGPVESVQAYTATLARNIEVEDTGTVSVKWRSGALGSMNVTMLTYPKNLEGSITILGEKGSVRVGGVAVNEIQHWEFSEPHAMDEEIKDASYATTSVYGFGHPLYYDNVIKTMRGEATPETDGREGLKSLELLIAMYLSARDGRRVSLPLDY
3,037
1,789
3,415
2,222
AF-Q7NQL0-F1-model_v4.pdb
MSWLIIADDLSGAADCAIGYAMSGARTVVTLEAAPAGADLSQADVVACDVDSRRMAPQEAAARNLEAWHRGQGASRRLYKKIDSTLRGNWAAETAALAPLAGLAIVAPAFPATGRTTAGGCMFVNGQPLEDSDIWRLEALTGRADLVALLAARGLRATLLPLDTVRAGDATLRLTIAGLAREGVRAVVCDAQTEQDLAALAAATAQLDVPAFWVGSGGLARALAAPCLFEGGAPQPLPAPEGGPVLTLVGSLSGISGRQAACLRERTGMQSLVVPPRILREGAGHADWDAAQQSITGCLRAGRDLLVSIGRDDAFDPGEGPRLSAALAQLSLPGFQHTRGLIATGGETARAMLSAAGIGALMLRREVEPGVPLSDTPALPGVPARRVATKAGAFGSEAALWHAWQAMTESRAPSA
brenda
Q0K4F6
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H](O)[C@H](O)CO>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H](O)[C@H](O)COP(=O)(O)O
45
0
25
8
2.7.1.219
106,590
1.653213
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H](O)[C@H](O)CO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H](O)[C@H](O)COP(=O)(O)O
1.653213
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H](O)[C@H](O)CO__MSWLIIADDLSGAADCAIGYAMSGARTVVTLEAAPAGADLSQADVVACDVDSRRMAPQEAAARNLEAWHRGQGASRRLYKKIDSTLRGNWAAETAALAPLAGLAIVAPAFPATGRTTAGGCMFVNGQPLEDSDIWRLEALTGRADLVALLAARGLRATLLPLDTVRAGDATLRLTIAGLAREGVRAVVCDAQTEQDLAALAAATAQLDVPAFWVGSGGLARALAAPCLFEGGAPQPLPAPEGGPVLTLVGSLSGISGRQAACLRERTGMQSLVVPPRILREGAGHADWDAAQQSITGCLRAGRDLLVSIGRDDAFDPGEGPRLSAALAQLSLPGFQHTRGLIATGGETARAMLSAAGIGALMLRREVEPGVPLSDTPALPGVPARRVATKAGAFGSEAALWHAWQAMTESRAPSA
2,815
2,389
2,666
5,505
AF-Q0K4F6-F1-model_v4.pdb
MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKITDGTVKREDIFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHYPAAMKPGKELYPKDEQGKIMHDTVDICATWEAMEKCKDAGLAKSIGVSNFNHRQLEMILSKPGLKYKPVCNQVECHLYLNQSKLLDFCKSKDIVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADL
brenda
G1T465
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.O=Cc1cccnc1.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
0.2
7.583579
25
7.4
1.1.1.239
9,986
-0.69897
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.O=Cc1cccnc1.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
-0.69897
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.O=Cc1cccnc1.[H+]__MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKITDGTVKREDIFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHYPAAMKPGKELYPKDEQGKIMHDTVDICATWEAMEKCKDAGLAKSIGVSNFNHRQLEMILSKPGLKYKPVCNQVECHLYLNQSKLLDFCKSKDIVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADL
1,329
1,150
6,188
841
AF-G1T465-F1-model_v4.pdb
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
sabio
Q04828
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.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>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=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]
1.56
0
25
7
1.1.1.-
9,606
0.193125
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.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
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=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]
0.193125
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.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__MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
1,329
1,150
197
213
AF-Q04828-F1-model_v4.pdb
MSANFTDKNGRQSKGVLLLRTLAMPSDTNANGDIFGGWIMSQMDMGGAILAKEIAHGRVVTVAVESMNFIKPISVGDVVCCYGQCLKVGRSSIKIKVEVWVKKVASEPIGERYCVTDAVFTFVAVDNNGRSRTIPRENNQELEKALALISEQPL
brenda
P44886
CC(C)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.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)CC(=O)O
30
0
25
7.5
3.1.2.20
727
1.477121
CC(C)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.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)CC(=O)O
1.477121
CC(C)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.O__MSANFTDKNGRQSKGVLLLRTLAMPSDTNANGDIFGGWIMSQMDMGGAILAKEIAHGRVVTVAVESMNFIKPISVGDVVCCYGQCLKVGRSSIKIKVEVWVKKVASEPIGERYCVTDAVFTFVAVDNNGRSRTIPRENNQELEKALALISEQPL
1,541
1,097
253
274
AF-P44886-F1-model_v4.pdb
MKSTALLWFPVVRNSKGVAVWQESNRIKFPKGKSERRFAFHKSPAVYALIFTLYIFYARIRTDRDKNYKPIWARLSANQEEAATLPDRSQLTKYFFFNILVHKSVQIKTLVKEPPPETNDFYFQQTMLRIKDPRKTLPFYCNVLGMRLLKQMDYPDGKFSLYFVGYKPASEIPNDPIEQKRYALSTLATIELTHNWGTENDPNFNYHNGNKEPRGFGHIGIAVKDVYAACKRFEELGVQFVKKPDDGRMKGLAFIQDPDGYWIEIFNPHTV
uniprot_search
A0A8R1XMM4
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=CC(=O)c1ccccc1>>N[C@@H](CCC(=O)N[C@@H](CSC(=O)C(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O
294,000
0
null
6.6
4.4.1.5
6,282
5.468347
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=CC(=O)c1ccccc1
N[C@@H](CCC(=O)N[C@@H](CSC(=O)C(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O
5.468347
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=CC(=O)c1ccccc1__MKSTALLWFPVVRNSKGVAVWQESNRIKFPKGKSERRFAFHKSPAVYALIFTLYIFYARIRTDRDKNYKPIWARLSANQEEAATLPDRSQLTKYFFFNILVHKSVQIKTLVKEPPPETNDFYFQQTMLRIKDPRKTLPFYCNVLGMRLLKQMDYPDGKFSLYFVGYKPASEIPNDPIEQKRYALSTLATIELTHNWGTENDPNFNYHNGNKEPRGFGHIGIAVKDVYAACKRFEELGVQFVKKPDDGRMKGLAFIQDPDGYWIEIFNPHTV
1,337
825
615
902
ESMFold-A0A8R1XMM4-v1.pdb
MGNGMNKILPGLYIGNFKDARDAEQLSKNKVTHILSVHDSARPMLEGVKYLCIPAADSPSQNLTRHFKESIKFIHECRLRGESCLVHCLAGVSRSVTLVIAYIMTVTDFGWEDALHTVRAGRSCANPNVGFQRQLQEFEKHEVHQYRQWLKEEYGESPLQDAEEAKNILAAPGILKFWAFLRRL
sabio
Q9NRW4
O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1
0.4
0
30
6
3.1.3.48
9,606
-0.39794
O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1
O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1
-0.39794
O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1__MGNGMNKILPGLYIGNFKDARDAEQLSKNKVTHILSVHDSARPMLEGVKYLCIPAADSPSQNLTRHFKESIKFIHECRLRGESCLVHCLAGVSRSVTLVIAYIMTVTDFGWEDALHTVRAGRSCANPNVGFQRQLQEFEKHEVHQYRQWLKEEYGESPLQDAEEAKNILAAPGILKFWAFLRRL
390
2,962
5,302
6,179
AF-Q9NRW4-F1-model_v4.pdb
MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD
sabio
Q04416
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)c1cccc(O)c1.O>>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.O=C(O)c1cccc(O)c1
15.8
0
25
7.5
3.1.2.23
1,667
1.198657
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)c1cccc(O)c1.O
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.O=C(O)c1cccc(O)c1
1.198657
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)c1cccc(O)c1.O__MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD
1,563
1,130
966
1,308
AF-Q04416-F1-model_v4.pdb
MAVVYYLLLAGLIACSHALAAGTPALGDDRGRPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWNDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPRPGGGGASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
sabio
Q9T0N8
CC(C)=CCN(C)c1ncnc2c1ncn2C.COC1=C(OC)C(=O)C(C)=CC1=O.O>>CC(C)=CC=O.CNc1nc[nH]c2ncnc1-2
0.6
29.772834
37
6.5
1.5.99.12
4,577
-0.221849
CC(C)=CCN(C)c1ncnc2c1ncn2C.COC1=C(OC)C(=O)C(C)=CC1=O.O
CC(C)=CC=O.CNc1nc[nH]c2ncnc1-2
-0.221849
CC(C)=CCN(C)c1ncnc2c1ncn2C.COC1=C(OC)C(=O)C(C)=CC1=O.O__MAVVYYLLLAGLIACSHALAAGTPALGDDRGRPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWNDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPRPGGGGASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
1,034
580
242
262
AF-Q9T0N8-F1-model_v4.pdb
MDYCNKKHTAEEYVKISDNNYVPFPEAFSDGGITWQLLHSSPETSSWTAIFNCPAGSSFASHIHAGPGEYFLTKGKMEVRGGEQEGGSTAYAPSYGFESSGALHGKTFFPVESQFYMTFLGPLNFIDDNGKVIASIGWAEAQGAWLATKNEAA
uniprot_search
Q8GNT2
CC(=O)CC(C)=O.O=O>>CC(=O)C=O.CC(=O)O
7
0
30
7.25
1.13.11.50
40,214
0.845098
CC(=O)CC(C)=O.O=O
CC(=O)C=O.CC(=O)O
0.929419
CC(=O)CC(C)=O.O=O__MDYCNKKHTAEEYVKISDNNYVPFPEAFSDGGITWQLLHSSPETSSWTAIFNCPAGSSFASHIHAGPGEYFLTKGKMEVRGGEQEGGSTAYAPSYGFESSGALHGKTFFPVESQFYMTFLGPLNFIDDNGKVIASIGWAEAQGAWLATKNEAA
1,344
833
625
912
AF-Q8GNT2-F1-model_v4.pdb
MQRWRGLEDIPQDWGRSVVTIGSYDGVHRGHQLIIQHTVDRARELGLPAVVVTFDPHPKEVLRPGTHPPLLAPHHRRAELMADLGVDAVLVLPFTTEFSNLSPADFIVKVLIDKLRAKAVVEGPNFRFGHRAAGDVMYLAELGKTYDFDVEVVDLFVSGEAGGGQPFSSTLTRRLVGEGDVEGAMEILGRPHRVEGVVVRGAQRGRELGVPTANVETLPHTAIPADGVYAGWLHAQGEAMPAAISVGTNPTFDGTERTVEAHVIDRVGLDLYGLHVAVDFLAYVRGQVKFDSLDALIERMGEDIKVSRELTAAAEAGDR
brenda
A3FM23
Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1N(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
0.5
0
25
8
2.7.1.26
348,043
-0.30103
Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1N(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
-0.30103
Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O__MQRWRGLEDIPQDWGRSVVTIGSYDGVHRGHQLIIQHTVDRARELGLPAVVVTFDPHPKEVLRPGTHPPLLAPHHRRAELMADLGVDAVLVLPFTTEFSNLSPADFIVKVLIDKLRAKAVVEGPNFRFGHRAAGDVMYLAELGKTYDFDVEVVDLFVSGEAGGGQPFSSTLTRRLVGEGDVEGAMEILGRPHRVEGVVVRGAQRGRELGVPTANVETLPHTAIPADGVYAGWLHAQGEAMPAAISVGTNPTFDGTERTVEAHVIDRVGLDLYGLHVAVDFLAYVRGQVKFDSLDALIERMGEDIKVSRELTAAAEAGDR
1,985
4,141
4,006
3,847
AF-A3FM23-F1-model_v4.pdb
MTLQTTPLAATTQAPLGQHPLEQLSAHEIHQARRILADAGLVAETTRFAYLGLIEPPKAVFQADAADAPRLVRAMLWDAAQSRSLDVRLSLATGLVLDQRELNPEIDGQLPVLLEEFGIIEDILAVDPQWNAALASRGLTPAQVRVAPLSAGVFEYGNEEGKRLLRGLGFRQDHPADHPWAHPIDGLVAFVDIENRRVNHLIDDGPVPVPEVNGNYTDPTIHGELRTDLKPIEITQPEGPSFTLEGNHLSWAGWDLRVGFDAREGLVLHQLHHSHQGRRRPVVHRASISEMVVPYGDPSPYRSWQNYFDSGEYLVGRDANSLKLGCDCLGDITYMSPVVADDFGNPRVIENGICIHEEDAGILWKHTDEWAGSNEVRRNRRLVVSFFTTVGNYDYGFYWYLYLDGTIEFEAKATGIVFTAALPDKDYAYASEIAPGLGAPYHQHLFSARLDMMVDGGTNRVEELDLVRLPKGPGNPHGNAFTQKRTVLTRESEAVRDADGTKGRVWHISNPDSLNHLGHPVGYTLYPEGNPTLAMADDSSIASRAAFAKHHLWVTQHAEDELYAAGDFVNQHPGGAGLPSYVAQDRDIDGQDLVVWHSFGLTHFPRPEDWPIMPVDTTGFTLKPHGFFDQNPTLNVPSSSTGHCAPAEQNTGTCGH
brenda
A1R2C3
NCCCCNCCCN.O.O=O>>N.OO
0.0429
58.315137
37
7
1.4.3.21
43,663
-1.367543
NCCCCNCCCN.O.O=O
N.OO
-1.367543
NCCCCNCCCN.O.O=O__MTLQTTPLAATTQAPLGQHPLEQLSAHEIHQARRILADAGLVAETTRFAYLGLIEPPKAVFQADAADAPRLVRAMLWDAAQSRSLDVRLSLATGLVLDQRELNPEIDGQLPVLLEEFGIIEDILAVDPQWNAALASRGLTPAQVRVAPLSAGVFEYGNEEGKRLLRGLGFRQDHPADHPWAHPIDGLVAFVDIENRRVNHLIDDGPVPVPEVNGNYTDPTIHGELRTDLKPIEITQPEGPSFTLEGNHLSWAGWDLRVGFDAREGLVLHQLHHSHQGRRRPVVHRASISEMVVPYGDPSPYRSWQNYFDSGEYLVGRDANSLKLGCDCLGDITYMSPVVADDFGNPRVIENGICIHEEDAGILWKHTDEWAGSNEVRRNRRLVVSFFTTVGNYDYGFYWYLYLDGTIEFEAKATGIVFTAALPDKDYAYASEIAPGLGAPYHQHLFSARLDMMVDGGTNRVEELDLVRLPKGPGNPHGNAFTQKRTVLTRESEAVRDADGTKGRVWHISNPDSLNHLGHPVGYTLYPEGNPTLAMADDSSIASRAAFAKHHLWVTQHAEDELYAAGDFVNQHPGGAGLPSYVAQDRDIDGQDLVVWHSFGLTHFPRPEDWPIMPVDTTGFTLKPHGFFDQNPTLNVPSSSTGHCAPAEQNTGTCGH
2,733
5,271
2,398
5,301
AF-A1R2C3-F1-model_v4.pdb
MTVYTASVTAPVNIATLKYWGKRDTKLNLPTNSSISVTLSQDDLRTLTSAATAPEFERDTLWLNGEPHSIDNERTQNCLRDLRQLRKEMESKDASLPTLSQWKLHIVSENNFPTAAGLASSAAGFAALVSAIAKLYQLPQSTSEISRIARKGSGSACRSLFGGYVAWEMGKAEDGHDSMAVQIADSSDWPQMKACVLVVSDIKKDVSSTQGMQLTVATSELFKERIEHVVPKRFEVMRKAIVEKDFATFAKETMMDSNSFHATCLDSFPPIFYMNDTSKRIISWCHTINQFYGETIVAYTFDAGPNAVLYYLAENESKLFAFIYKLFGSVPGWDKKFTTEQLEAFNHQFESSNFTARELDLELQKDVARVILTQVGSGPQETNESLIDAKTGLPKE
sabio
P32377
CC(O)(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>C=C(C)CCOP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C=O.O=P(O)(O)O
4.9
0
30
7
4.1.1.33
4,932
0.690196
CC(O)(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O
C=C(C)CCOP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C=O.O=P(O)(O)O
0.690196
CC(O)(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MTVYTASVTAPVNIATLKYWGKRDTKLNLPTNSSISVTLSQDDLRTLTSAATAPEFERDTLWLNGEPHSIDNERTQNCLRDLRQLRKEMESKDASLPTLSQWKLHIVSENNFPTAAGLASSAAGFAALVSAIAKLYQLPQSTSEISRIARKGSGSACRSLFGGYVAWEMGKAEDGHDSMAVQIADSSDWPQMKACVLVVSDIKKDVSSTQGMQLTVATSELFKERIEHVVPKRFEVMRKAIVEKDFATFAKETMMDSNSFHATCLDSFPPIFYMNDTSKRIISWCHTINQFYGETIVAYTFDAGPNAVLYYLAENESKLFAFIYKLFGSVPGWDKKFTTEQLEAFNHQFESSNFTARELDLELQKDVARVILTQVGSGPQETNESLIDAKTGLPKE
2,951
1,686
3,298
2,097
AF-P32377-F1-model_v4.pdb
MVVGRGLLGRRSLAALGAACARRGLGPALLGVFCHTDLRKNLTVDEGTMKVEVLPALTDNYMYLVIDDETKEAAIVDPVQPQKVVDAARKHGVKLTTVLTTHHHWDHAGGNEKLVKLESGLKVYGGDDRIGALTHKITHLSTLQVGSLNVKCLATPCHTSGHICYFVSKPGGSEPPAVFTGDTLFVAGCGKFYEGTADEMCKALLEVLGRLPPDTRVYCGHEYTINNLKFARHVEPGNAAIREKLAWAKEKYSIGEPTVPSTLAEEFTYNPFMRVREKTVQQHAGETDPVTTMRAVRREKDQFKMPRD
uniprot_search
Q16775
C[C@@H](O)C(=O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O.O>>C[C@@H](O)C(=O)O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O
170
0
30
7.5
3.1.2.6
90,371
2.230449
C[C@@H](O)C(=O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O.O
C[C@@H](O)C(=O)O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O
2.892095
C[C@@H](O)C(=O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O.O__MVVGRGLLGRRSLAALGAACARRGLGPALLGVFCHTDLRKNLTVDEGTMKVEVLPALTDNYMYLVIDDETKEAAIVDPVQPQKVVDAARKHGVKLTTVLTTHHHWDHAGGNEKLVKLESGLKVYGGDDRIGALTHKITHLSTLQVGSLNVKCLATPCHTSGHICYFVSKPGGSEPPAVFTGDTLFVAGCGKFYEGTADEMCKALLEVLGRLPPDTRVYCGHEYTINNLKFARHVEPGNAAIREKLAWAKEKYSIGEPTVPSTLAEEFTYNPFMRVREKTVQQHAGETDPVTTMRAVRREKDQFKMPRD
3,083
1,844
3,473
2,282
AF-Q16775-F1-model_v4.pdb
MRSLLSSVASLAVLFAVAKPALAAVPVWGQCGGNGWSGETTCASGSTCVVVNEWYHQCQPGAGPTTTSSAPNPTSSGCPNATKFRFFGVNQAGAEFGENVIPGELGTHYTWPSPSSIDYFVNQGFNTFRVAFKIERLSPPGTGLTGPFDQAYLNGLKTIVNYITGKNAYAVLDPHNYMRYNGNVITSTSNFQTWWNKLATEFRSNTRVIFDVMNEPYQIDASVVFNLNQAAINGIRASGATSQLILVEGTAWTGAWSWESSGNGAVFGAIRDPNNNTAIEMHQYLDSDSSGTSATCVSSTVGIERLRVATVWLRRNNLKGFLGEMGAGSNDVCIAAVKGALCAMQQSGVWIGYLWWAAGPWWGTYFQSIEPPNGASIARILPEALKPFV
brenda
B3GQ73
CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
74.51
17.767577
60
5
3.2.1.4
36,659
1.872215
CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
1.872215
CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO__MRSLLSSVASLAVLFAVAKPALAAVPVWGQCGGNGWSGETTCASGSTCVVVNEWYHQCQPGAGPTTTSSAPNPTSSGCPNATKFRFFGVNQAGAEFGENVIPGELGTHYTWPSPSSIDYFVNQGFNTFRVAFKIERLSPPGTGLTGPFDQAYLNGLKTIVNYITGKNAYAVLDPHNYMRYNGNVITSTSNFQTWWNKLATEFRSNTRVIFDVMNEPYQIDASVVFNLNQAAINGIRASGATSQLILVEGTAWTGAWSWESSGNGAVFGAIRDPNNNTAIEMHQYLDSDSSGTSATCVSSTVGIERLRVATVWLRRNNLKGFLGEMGAGSNDVCIAAVKGALCAMQQSGVWIGYLWWAAGPWWGTYFQSIEPPNGASIARILPEALKPFV
1,430
948
751
1,047
AF-B3GQ73-F1-model_v4.pdb
MRIYKLSPIFSAAVLLSAGVASAETKFFYNQVGYDVDQPISVIVQSENLADGAEFSVMSGGTAVKTGKLSTGSNPDNWLNSGKFYVADLTGLKAGKYTLQVSENGQPQKSGEFTVGENALAANTLASVLNYFYDDRADDPTVEGWDKQMPVYKSDKKLDVHGGWYDASGDVSKYLSHLSYANYLNPQQIPLTVWSLAFASERIPKLLGSTSTKAKTADEAAYGADFLVRMLDEQGFFYMTVFDNWGSPMGKREICAFSGSDGIKSTDYQTAFREGGGMAIAALASAARLKLKGDFTSEQYLAAAEKAYKHLSEKQSVGGDCAYCDDHKENIIDDYTALLAATELYAATKKQEYLEDAYDRAEHLSSRVSKDGYFWSDDAKTRPFWHASDAGLPLVALARYSEVVGAIDEDAGIKVHGRPFPYWGCVTMIGGGCVNESIDNVRNAIRSHFDWLVKITNKVDNPFGYARQTYKTQDKIKDGFFIPHDNESNYWWQGEDARLASLSAAIMYANRIIDGEYRNVTTSDVQKYATDQLDWILGKNPYATCMMYGKGTKNPQKYDGQSKYDATLEGGIANGISGKNQDGSGIAWTDDGVAAVGFDSEKESWQVWRWDEQWLPHSTWYLMALVERYDELTKPVEFSVGLSKSTVAAKASVSLVGKMLSLNLPRSVVGKSVKVLDVRGNVLMQKTVQGVSETMDVSTLNRGLYLVQIQGFAAKKFVVK
brenda
B0FWI3
O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
18.6
19.988321
null
null
3.2.1.74
59,374
1.269513
O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
1.269513
O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O__MRIYKLSPIFSAAVLLSAGVASAETKFFYNQVGYDVDQPISVIVQSENLADGAEFSVMSGGTAVKTGKLSTGSNPDNWLNSGKFYVADLTGLKAGKYTLQVSENGQPQKSGEFTVGENALAANTLASVLNYFYDDRADDPTVEGWDKQMPVYKSDKKLDVHGGWYDASGDVSKYLSHLSYANYLNPQQIPLTVWSLAFASERIPKLLGSTSTKAKTADEAAYGADFLVRMLDEQGFFYMTVFDNWGSPMGKREICAFSGSDGIKSTDYQTAFREGGGMAIAALASAARLKLKGDFTSEQYLAAAEKAYKHLSEKQSVGGDCAYCDDHKENIIDDYTALLAATELYAATKKQEYLEDAYDRAEHLSSRVSKDGYFWSDDAKTRPFWHASDAGLPLVALARYSEVVGAIDEDAGIKVHGRPFPYWGCVTMIGGGCVNESIDNVRNAIRSHFDWLVKITNKVDNPFGYARQTYKTQDKIKDGFFIPHDNESNYWWQGEDARLASLSAAIMYANRIIDGEYRNVTTSDVQKYATDQLDWILGKNPYATCMMYGKGTKNPQKYDGQSKYDATLEGGIANGISGKNQDGSGIAWTDDGVAAVGFDSEKESWQVWRWDEQWLPHSTWYLMALVERYDELTKPVEFSVGLSKSTVAAKASVSLVGKMLSLNLPRSVVGKSVKVLDVRGNVLMQKTVQGVSETMDVSTLNRGLYLVQIQGFAAKKFVVK
492
3,167
5,462
6,345
AF-B0FWI3-F1-model_v4.pdb
MSPVASSRIEKDLLGTLEVPADAYYGIQTLRAVNNFRLSGVPLSHYPKLVVALAMVKQAAADANRQLGHLPEDKHAAISEACARLIRGDFHEQFVVDMIQGGAGTSTNMNANEVIANIALEAMGHTKGEYKYLHPNNDVNMAQSTNDAYPTAIRLGLLLGHDTLLASLDSLIQAFAAKGVEFAGVLKMGRTQLQDAVPMTLGQEFHAFATTLGEDLDRLRRLAPELLTEVNLGGTAIGTGINADPGYQKLAVERLAAISGQPLKPAADLIEATSDMGAFVLFSGMLKRTAVKLSKICNDLRLLSSGPRTGINEINLPPRQPGSSIMPGKVNPVIPEAVNQVAFEVIGNDLALTLAAEGGQLQLNVMEPLIAYKIFDSIRLLQRAMDMLREHCITGITANVERCHELVEHSIGLVTALNPYIGYENSTRIAKTALESGRGVLELVREEKLLDEATLADILLPENMIAPRLIPLRA
brenda
Q9HTD7
N[C@@H](CC(=O)O)C(=O)O>>N.O=C(O)/C=C/C(=O)O
4.908
0
35
8
4.3.1.1
287
0.690905
N[C@@H](CC(=O)O)C(=O)O
N.O=C(O)/C=C/C(=O)O
0.690905
N[C@@H](CC(=O)O)C(=O)O__MSPVASSRIEKDLLGTLEVPADAYYGIQTLRAVNNFRLSGVPLSHYPKLVVALAMVKQAAADANRQLGHLPEDKHAAISEACARLIRGDFHEQFVVDMIQGGAGTSTNMNANEVIANIALEAMGHTKGEYKYLHPNNDVNMAQSTNDAYPTAIRLGLLLGHDTLLASLDSLIQAFAAKGVEFAGVLKMGRTQLQDAVPMTLGQEFHAFATTLGEDLDRLRRLAPELLTEVNLGGTAIGTGINADPGYQKLAVERLAAISGQPLKPAADLIEATSDMGAFVLFSGMLKRTAVKLSKICNDLRLLSSGPRTGINEINLPPRQPGSSIMPGKVNPVIPEAVNQVAFEVIGNDLALTLAAEGGQLQLNVMEPLIAYKIFDSIRLLQRAMDMLREHCITGITANVERCHELVEHSIGLVTALNPYIGYENSTRIAKTALESGRGVLELVREEKLLDEATLADILLPENMIAPRLIPLRA
649
5,276
2,534
5,354
AF-Q9HTD7-F1-model_v4.pdb
MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRDVCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTKKGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKATKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
sabio
P16152
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(c1ccccc1)c1ccncc1.[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
5.2
11.057873
null
7
1.1.1.184
9,606
0.716003
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(c1ccccc1)c1ccncc1.[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
4.380211
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(c1ccccc1)c1ccncc1.[H]__MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRDVCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTKKGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKATKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
1,319
3,880
4,509
857
AF-P16152-F1-model_v4.pdb
MSDSQQSIKVLEELFQKLSVATADNRHEIASEVASFLNGNIIEHDVPEHFFGELAKGIKDKKTAANAMQAVAHIANQSNLSPSVEPYIVQLVPAICTNAGNKDKEIQSVASETLISIVNAVNPVAIKALLPHLTNAIVETNKWQEKIAILAAISAMVDAAKDQVALRMPELIPVLSETMWDTKKEVKAAATAAMTKATETVDNKDIERFIPSLIQCIADPTEVPETVHLLGATTFVAEVTPATLSIMVPLLSRGLNERETGIKRKSAVIIDNMCKLVEDPQVIAPFLGKLLPGLKSNFATIADPEAREVTLRALKTLRRVGNVGEDDAIPEVSHAGDVSTTLQVVNELLKDETVAPRFKIVVEYIAAIGADLIDERIIDQQAWFTHITPYMTIFLHEKKAKDILDEFRKRAVDNIPVGPNFDDEEDEGEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDGFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRMTPSGHNWVSGQGAGPRIEKKEDEEDKFDAMGNKIAGGKKKKKLSSAELRKKKKERMKKKKELGDAYVSSDEEF
sabio
P16521
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O
5.3
0
21
null
3.6.4.-
4,932
0.724276
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O
0.724276
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O__MSDSQQSIKVLEELFQKLSVATADNRHEIASEVASFLNGNIIEHDVPEHFFGELAKGIKDKKTAANAMQAVAHIANQSNLSPSVEPYIVQLVPAICTNAGNKDKEIQSVASETLISIVNAVNPVAIKALLPHLTNAIVETNKWQEKIAILAAISAMVDAAKDQVALRMPELIPVLSETMWDTKKEVKAAATAAMTKATETVDNKDIERFIPSLIQCIADPTEVPETVHLLGATTFVAEVTPATLSIMVPLLSRGLNERETGIKRKSAVIIDNMCKLVEDPQVIAPFLGKLLPGLKSNFATIADPEAREVTLRALKTLRRVGNVGEDDAIPEVSHAGDVSTTLQVVNELLKDETVAPRFKIVVEYIAAIGADLIDERIIDQQAWFTHITPYMTIFLHEKKAKDILDEFRKRAVDNIPVGPNFDDEEDEGEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDGFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRMTPSGHNWVSGQGAGPRIEKKEDEEDKFDAMGNKIAGGKKKKKLSSAELRKKKKERMKKKKELGDAYVSSDEEF
32
2,501
2,789
5,634
AF-P16521-F1-model_v4.pdb
MRIPSSLLSLLALGAACHCSPTNRPVPDAGGSVQEPVRRVAHIIREYPHATNAFTQGLVFHQGHLFESTGHQGTLRQLSLESAQPVWMERLGNIFAEGLASDGERLYQLTWTEGLLFTWSGMPPQRERTTRYSGEGWGLCYWNGKLVRSDGGTMLTFHEPDGFALVGAVQVKLRGQPVELINELECANGVIYANIWHSSDVLEIDPATGTVVGVIDASALTRAVAGQVTNPEAVLNGIAVEPGSGRIFMTGKLWPRLFEVRLDVVD
brenda
Q1DDS6
C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@@H](N)CCC(=N)O)C(=O)O>>C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@@H]1CCC(O)=N1)C(=O)O.N
102
0
37
8
2.3.2.5
34
2.0086
C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@@H](N)CCC(=N)O)C(=O)O
C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@@H]1CCC(O)=N1)C(=O)O.N
2.0086
C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@@H](N)CCC(=N)O)C(=O)O__MRIPSSLLSLLALGAACHCSPTNRPVPDAGGSVQEPVRRVAHIIREYPHATNAFTQGLVFHQGHLFESTGHQGTLRQLSLESAQPVWMERLGNIFAEGLASDGERLYQLTWTEGLLFTWSGMPPQRERTTRYSGEGWGLCYWNGKLVRSDGGTMLTFHEPDGFALVGAVQVKLRGQPVELINELECANGVIYANIWHSSDVLEIDPATGTVVGVIDASALTRAVAGQVTNPEAVLNGIAVEPGSGRIFMTGKLWPRLFEVRLDVVD
1,594
1,181
1,655
1,381
AF-Q1DDS6-F1-model_v4.pdb
MNASDFRRRGKEMVDYMADYLEGIEGRQVYPDVQPGYLRPLIPATAPQEPDTFEDILQDVEKIIMPGVTHWHSPYFFAYFPTASSYPAMLADMLCGAIGCIGFSWAASPACTELETVMMDWLGKMLQLPEAFLAGEAGEGGGVIQGSASEATLVALLAARTKVVRRLQAASPGLTQGAVLEKLVAYASDQAHSSVERAGLIGGVKLKAIPSDGKFAMRASALQEALERDKAAGLIPFFVVATLGTTSCCSFDNLLEVGPICHEEDIWLHVDAAYAGSAFICPEFRHLLNGVEFADSFNFNPHKWLLVNFDCSAMWVKRRTDLTGAFKLDPVYLKHSHQGSGLITDYRHWQLPLGRRFRSLKMWFVFRMYGVKGLQAYIRKHVQLSHEFEAFVLQDPRFEVCAEVTLGLVCFRLKGSDGLNEALLERINSARKIHLVPCRLRGQFVLRFAICSRKVESGHVRLAWEHIRGLAAELLAAEEGKAEIKS
sabio
P80041
NC(Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1.O=C=O
4.26
0
25
7.5
4.1.1.28
9,823
0.62941
NC(Cc1ccc(O)c(O)c1)C(=O)O
NCCc1ccc(O)c(O)c1.O=C=O
0.62941
NC(Cc1ccc(O)c(O)c1)C(=O)O__MNASDFRRRGKEMVDYMADYLEGIEGRQVYPDVQPGYLRPLIPATAPQEPDTFEDILQDVEKIIMPGVTHWHSPYFFAYFPTASSYPAMLADMLCGAIGCIGFSWAASPACTELETVMMDWLGKMLQLPEAFLAGEAGEGGGVIQGSASEATLVALLAARTKVVRRLQAASPGLTQGAVLEKLVAYASDQAHSSVERAGLIGGVKLKAIPSDGKFAMRASALQEALERDKAAGLIPFFVVATLGTTSCCSFDNLLEVGPICHEEDIWLHVDAAYAGSAFICPEFRHLLNGVEFADSFNFNPHKWLLVNFDCSAMWVKRRTDLTGAFKLDPVYLKHSHQGSGLITDYRHWQLPLGRRFRSLKMWFVFRMYGVKGLQAYIRKHVQLSHEFEAFVLQDPRFEVCAEVTLGLVCFRLKGSDGLNEALLERINSARKIHLVPCRLRGQFVLRFAICSRKVESGHVRLAWEHIRGLAAELLAAEEGKAEIKS
2,805
3,776
2,349
197
AF-P80041-F1-model_v4.pdb
MDPKFQRVALSDGHFIPVLGFGTYAPEEVPKSKAMEATKIAIDAGFRHIDSAYFYKNEKEVGLAIRSKIADGTVKREDIFYTSKLWCTFHRPELVRPSLEDSLKNLQLDYVDLYIIHFPTALKPGVEIIPTDEHGKAIFDTVDICATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQGKLLEFCKSKGIVLVAYSALGSHREPEWVDQSAPVLLEDPLIGALAKKHQQTPALIALRYQLQRGIVVLAKSFTEKRIKENIQVFEFQLPSEDMKVIDSLNRNFRYVTADFAIGHPNYPFSDEY
uniprot_search
P80508
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=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+]>>
0.017
99.901749
37
7.4
1.1.1.149
9,986
-1.769551
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=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+]
null
-1.769551
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=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+]__MDPKFQRVALSDGHFIPVLGFGTYAPEEVPKSKAMEATKIAIDAGFRHIDSAYFYKNEKEVGLAIRSKIADGTVKREDIFYTSKLWCTFHRPELVRPSLEDSLKNLQLDYVDLYIIHFPTALKPGVEIIPTDEHGKAIFDTVDICATWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQGKLLEFCKSKGIVLVAYSALGSHREPEWVDQSAPVLLEDPLIGALAKKHQQTPALIALRYQLQRGIVVLAKSFTEKRIKENIQVFEFQLPSEDMKVIDSLNRNFRYVTADFAIGHPNYPFSDEY
1,329
1,150
197
619
AF-P80508-F1-model_v4.pdb
MGIKLPTLEDLREISKQFNLDLEDEELKSFLQLLKLQLESYERLDSLPDYTPRVKYQRTLGRPPMKEENPYGALVWITSIKGKEEGKLKGKRICIKDNVMIAGIPMLNGSKMLEGFVPHMDATVVSRILDEAGEIVAKTTCEDLCFSGGSHTSYPWPVLNPRNPEYMAGGSSSGSAVAVASGYCDMAVGGDQGGSIRIPSSWVGIYGLKPTHGLVPYTGAFSIEPTLDHLGPMANTVKDVALLLEVIAGRDELDSRQPDSLPPPPVKPYSKLIDGDVKDMKVGIVKEGFNWSNSEKDVDELVLDSAKKLEDYGIKVEDTSIPLHRMGLDIWTPIAIEGATATMILGSGVGWGRKGLFETQIADFFGNSLKSRARDLPNTVKGVLMLGYLMIKMYNNRYYAKARNLSIVLKEAYDSALRKYDALIMPTTPMKAMRYKSEPGFDEYFIMALGMINNTAPFDVTGHPAMNIPVGYSNGLPVGLMIIGRHFEEDKVLKLANVFERIKK
brenda
P95896
N=C(O)/C=C/c1ccccc1.O>>N.O=C(O)/C=C/c1ccccc1
769
0
95
5
3.5.1.4
2,287
2.885926
N=C(O)/C=C/c1ccccc1.O
N.O=C(O)/C=C/c1ccccc1
2.885926
N=C(O)/C=C/c1ccccc1.O__MGIKLPTLEDLREISKQFNLDLEDEELKSFLQLLKLQLESYERLDSLPDYTPRVKYQRTLGRPPMKEENPYGALVWITSIKGKEEGKLKGKRICIKDNVMIAGIPMLNGSKMLEGFVPHMDATVVSRILDEAGEIVAKTTCEDLCFSGGSHTSYPWPVLNPRNPEYMAGGSSSGSAVAVASGYCDMAVGGDQGGSIRIPSSWVGIYGLKPTHGLVPYTGAFSIEPTLDHLGPMANTVKDVALLLEVIAGRDELDSRQPDSLPPPPVKPYSKLIDGDVKDMKVGIVKEGFNWSNSEKDVDELVLDSAKKLEDYGIKVEDTSIPLHRMGLDIWTPIAIEGATATMILGSGVGWGRKGLFETQIADFFGNSLKSRARDLPNTVKGVLMLGYLMIKMYNNRYYAKARNLSIVLKEAYDSALRKYDALIMPTTPMKAMRYKSEPGFDEYFIMALGMINNTAPFDVTGHPAMNIPVGYSNGLPVGLMIIGRHFEEDKVLKLANVFERIKK
1,085
655
336
378
AF-P95896-F1-model_v4.pdb
MYQRALLFSFFLAAARAQQAGTVTAENHPSLTWQQCSSGGSCTTQNGKVVIDANWRWVHTTSGYTNCYTGNTWDTSICPDDVTCAQNCALDGADYSGTYGVTTSGNALRLNFVTQSSGKNIGSRLYLLQDDTTYQIFKLLGQEFTFDVDVSNLPCGLNGALYFVAMDADGGLSKYPGNKAGAKYGTGYCDSQCPRDLKFINGQANVEGWQPSANDPNAGVGNHGSCCAEMDVWEANSISTAVTPHPCDTPGQTMCQGDDCGGTYSSTRYAGTCDPDGCDFNPYRQGNHSFYGPGQIVDTSSKFTVVTQFITDDGTPSGTLTEIKRFYVQNGKVIPQSESTISGVTGNSITTEYCTAQKAAFGDNTGFFTHGGLQKISQALAQGMVLVMSLWDDHAANMLWLDSTYPTDADPDTPGVARGTCPTTSGVPADVESQYPNSYVIYSNIKVGPINSTFTAN
brenda
A7WNU2
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(Cl)c1>>O=[N+]([O-])c1ccc(O)c(Cl)c1.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
0.0283
0
22
5.7
3.2.1.176
5,087
-1.548214
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(Cl)c1
O=[N+]([O-])c1ccc(O)c(Cl)c1.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
-1.548214
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(Cl)c1__MYQRALLFSFFLAAARAQQAGTVTAENHPSLTWQQCSSGGSCTTQNGKVVIDANWRWVHTTSGYTNCYTGNTWDTSICPDDVTCAQNCALDGADYSGTYGVTTSGNALRLNFVTQSSGKNIGSRLYLLQDDTTYQIFKLLGQEFTFDVDVSNLPCGLNGALYFVAMDADGGLSKYPGNKAGAKYGTGYCDSQCPRDLKFINGQANVEGWQPSANDPNAGVGNHGSCCAEMDVWEANSISTAVTPHPCDTPGQTMCQGDDCGGTYSSTRYAGTCDPDGCDFNPYRQGNHSFYGPGQIVDTSSKFTVVTQFITDDGTPSGTLTEIKRFYVQNGKVIPQSESTISGVTGNSITTEYCTAQKAAFGDNTGFFTHGGLQKISQALAQGMVLVMSLWDDHAANMLWLDSTYPTDADPDTPGVARGTCPTTSGVPADVESQYPNSYVIYSNIKVGPINSTFTAN
1,951
3,462
1,959
3,797
AF-A7WNU2-F1-model_v4.pdb
MSRRNFVVLLILAYGLVLTTCSRPSSRVYIVEVLNEFPHDPYAFTQGLVYAENDTLFESTGLYGRSSVRQVALQTGKVENIHKMDDSYFGEGLTLLNEKLYQVVWLKNIGFIYDRRTLSNIKNFTHQMKDGWGLATDGKILYGSDGTSILYEIDPHTFKLIKKHNVKYNGHRVIRLNELEYINGEVWANIWQTDCIARISAKDGTLLGWILLPNLRKKLIDEGFRDIDVLNGIAWDQENKRIFVTGKLWPKLFEIKLHLVRHRIPDGYIERHCLNLRDNTLSLKTDID
uniprot_search
O81226
N=C(O)CC[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(=O)O>>N.O=C(O)CC[C@H](N=C(O)[C@H]1CCC(O)=N1)C(=O)O
44.4
0
30
8
2.3.2.5
3,649
1.647383
N=C(O)CC[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(=O)O
N.O=C(O)CC[C@H](N=C(O)[C@H]1CCC(O)=N1)C(=O)O
1.701568
N=C(O)CC[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(=O)O__MSRRNFVVLLILAYGLVLTTCSRPSSRVYIVEVLNEFPHDPYAFTQGLVYAENDTLFESTGLYGRSSVRQVALQTGKVENIHKMDDSYFGEGLTLLNEKLYQVVWLKNIGFIYDRRTLSNIKNFTHQMKDGWGLATDGKILYGSDGTSILYEIDPHTFKLIKKHNVKYNGHRVIRLNELEYINGEVWANIWQTDCIARISAKDGTLLGWILLPNLRKKLIDEGFRDIDVLNGIAWDQENKRIFVTGKLWPKLFEIKLHLVRHRIPDGYIERHCLNLRDNTLSLKTDID
1,595
1,182
1,656
1,382
AF-O81226-F1-model_v4.pdb
MSTETIPDVRRLRALQAEVHEELTENILKFWATRTHDPVHGGFVGRVGPDGRPHPEAPRGAILNARILWTFAAAYRQLGTPLYREMAERAYRYFVRHFVDAEHGGVYWMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADRVHGGYVEACDRAWRPLEDARLSAKDAPEPRSMNTHLHVLEAYANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWRPRSRAVSFGHDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLAEGRAPDGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDGAPYPDDKVDFWKGPYHNGRACLEAIQRLRHLLEHVRSR
brenda
F8WRK9
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>>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O
102
0
30
7.5
5.1.3.11
29,549
2.0086
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
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O
2.0086
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__MSTETIPDVRRLRALQAEVHEELTENILKFWATRTHDPVHGGFVGRVGPDGRPHPEAPRGAILNARILWTFAAAYRQLGTPLYREMAERAYRYFVRHFVDAEHGGVYWMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADRVHGGYVEACDRAWRPLEDARLSAKDAPEPRSMNTHLHVLEAYANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWRPRSRAVSFGHDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLAEGRAPDGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDGAPYPDDKVDFWKGPYHNGRACLEAIQRLRHLLEHVRSR
854
331
6,098
7,037
AF-F8WRK9-F1-model_v4.pdb
MIWEFTVLLSLVLGTGAVPLEDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIVHRNGIPDEQIIVMMYDDIANSEDNPTPGIVINRPNGSDVYQGVLKDYTGEDVTPKNFLAVLRGDAEAVKGVGSGKVLKSGPRDHVFVYFTDHGATGILVFPNEDLHVKDLNETIRYMYEHKMYQKMVFYIEACESGSMMNHLPPDINVYATTAANPRESSYACYYDEQRSTFLGDWYSVNWMEDSDVEDLTKETLHKQYQLVKSHTNTSHVMQYGNKSISAMKLMQFQGLKHQASSPISLPAVSRLDLTPSPEVPLSIMKRKLMSTNDLQESRRLVQKIDRHLEARNIIEKSVRKIVTLVSGSAAEVDRLLSQRAPLTEHACYQTAVSHFRSHCFNWHNPTYEYALRHLYVLVNLCENPYPIDRIKLSMNKVCHGYY
brenda
Q95M12
CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O>>CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
0.1
0
37
5
3.4.22.34
9,913
-1
CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O
CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
-1
CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O__MIWEFTVLLSLVLGTGAVPLEDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIVHRNGIPDEQIIVMMYDDIANSEDNPTPGIVINRPNGSDVYQGVLKDYTGEDVTPKNFLAVLRGDAEAVKGVGSGKVLKSGPRDHVFVYFTDHGATGILVFPNEDLHVKDLNETIRYMYEHKMYQKMVFYIEACESGSMMNHLPPDINVYATTAANPRESSYACYYDEQRSTFLGDWYSVNWMEDSDVEDLTKETLHKQYQLVKSHTNTSHVMQYGNKSISAMKLMQFQGLKHQASSPISLPAVSRLDLTPSPEVPLSIMKRKLMSTNDLQESRRLVQKIDRHLEARNIIEKSVRKIVTLVSGSAAEVDRLLSQRAPLTEHACYQTAVSHFRSHCFNWHNPTYEYALRHLYVLVNLCENPYPIDRIKLSMNKVCHGYY
229
2,748
5,060
2,828
AF-Q95M12-F1-model_v4.pdb
MLSGWSVLKGGNMKYWDKALLSLFMCVSTLSIAATHAVAMEGMQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKYGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHSKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHSPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVKKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYINEAQRIMKKSL
sabio
Q7MSJ8
*NC(=O)C(CS)NC(=O)C(CS)NC(*)=O.O=S(O)O.[H]>>*NC(=O)C1CSSCC(NC(*)=O)C(=O)N1.O.S
200.6
5.215833
29.85
7
1.8.99.-
844
2.302331
*NC(=O)C(CS)NC(=O)C(CS)NC(*)=O.O=S(O)O.[H]
*NC(=O)C1CSSCC(NC(*)=O)C(=O)N1.O.S
2.302331
*NC(=O)C(CS)NC(=O)C(CS)NC(*)=O.O=S(O)O.[H]__MLSGWSVLKGGNMKYWDKALLSLFMCVSTLSIAATHAVAMEGMQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKYGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHSKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHSPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVKKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYINEAQRIMKKSL
967
493
134
142
AF-Q7MSJ8-F1-model_v4.pdb
MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCDEPSTMELKVKTLRYFNELEAENIKGL
sabio
P0A759
NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O>>N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
153
0
30
7.5
3.5.99.6
562
2.184691
NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O
N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
2.184691
NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O__MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCDEPSTMELKVKTLRYFNELEAENIKGL
2,691
3,789
2,368
5,270
AF-P0A759-F1-model_v4.pdb
MSNDHLETTGSSDPNTNLLKYLPIVLNPDRTITRPIQIPSTAASPDPTSSSPVLTKDLALNPLHNTFVRLFLPRHALYNSAKLPLVVYFHGGGFILFSAASTIFHDFCCEMAVHAGVVIASVDYRLAPEHRLPAAYDDAMEALQWIKDSRDEWLTNFADFSNCFIMGESAGGNIAYHAGLRAAAVADELLPLKIKGLVLDEPGFGGSKRTGSELRLANDSRLPTFVLDLIWELSLPMGADRDHEYCNPTAESEPLYSFDKIRSLGWRVMVVGCHGDPMIDRQMELAERLEKKGVDVVAQFDVGGYHAVKLEDPEKAKQFFVILKKFVVDSCTTKL
brenda
Q0ZPV7
CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O>>CCCC(=O)O.Cc1cc(=O)oc2cc(O)ccc12
10.1
0
25
8
3.1.1.1
165,200
1.004321
CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O
CCCC(=O)O.Cc1cc(=O)oc2cc(O)ccc12
1.004321
CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O__MSNDHLETTGSSDPNTNLLKYLPIVLNPDRTITRPIQIPSTAASPDPTSSSPVLTKDLALNPLHNTFVRLFLPRHALYNSAKLPLVVYFHGGGFILFSAASTIFHDFCCEMAVHAGVVIASVDYRLAPEHRLPAAYDDAMEALQWIKDSRDEWLTNFADFSNCFIMGESAGGNIAYHAGLRAAAVADELLPLKIKGLVLDEPGFGGSKRTGSELRLANDSRLPTFVLDLIWELSLPMGADRDHEYCNPTAESEPLYSFDKIRSLGWRVMVVGCHGDPMIDRQMELAERLEKKGVDVVAQFDVGGYHAVKLEDPEKAKQFFVILKKFVVDSCTTKL
1,504
1,054
880
1,213
AF-Q0ZPV7-F1-model_v4.pdb
MYTSFHRIDLPRTIVVGGGVLDKAGGYVAGVAQRGSYVLVVSGPTVSSKYFERLRASLEAEGLTVGLKIIRDATVETAEEVAREALESRIEVVAGLGGGKSIDVAKYASKRAGSVFVSIPTVASHDGITSPFSSLKGFDKPISRPAKAPEAIIIDVDVIAEAPRRYNIAGFGDLIGKYTAVLDWRLAHKLRLEYYGEYAASLALLSAKHVSQYAEEIALGTREGYRVLLEALVSSGVSMCIAGSTRPASGSEHLFAHALHIVARNKPLHGEAVGVGTIMMAYLHGKNWRRIRGLLKTVGAPTNAKELGVEDDEVVEALTIAARIRPERYTILGEKGLTREAAEALARKTGVI
uniprot_search
A0A401H8L6
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.O=C(CO)COP(=O)(O)O.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)CO
3.3
0
95.5
7
1.1.1.261
56,636
0.518514
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.O=C(CO)COP(=O)(O)O.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)CO
0.698796
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.O=C(CO)COP(=O)(O)O.[H+]__MYTSFHRIDLPRTIVVGGGVLDKAGGYVAGVAQRGSYVLVVSGPTVSSKYFERLRASLEAEGLTVGLKIIRDATVETAEEVAREALESRIEVVAGLGGGKSIDVAKYASKRAGSVFVSIPTVASHDGITSPFSSLKGFDKPISRPAKAPEAIIIDVDVIAEAPRRYNIAGFGDLIGKYTAVLDWRLAHKLRLEYYGEYAASLALLSAKHVSQYAEEIALGTREGYRVLLEALVSSGVSMCIAGSTRPASGSEHLFAHALHIVARNKPLHGEAVGVGTIMMAYLHGKNWRRIRGLLKTVGAPTNAKELGVEDDEVVEALTIAARIRPERYTILGEKGLTREAAEALARKTGVI
2,226
4,978
2,057
4,912
AF-A0A401H8L6-F1-model_v4.pdb
MHRASHHELRAMFRALLDSSRCYHTASVFDPMSARIAADLGFECGILGGSVASLQVLAAPDFALITLSEFVEQATRIGRVARLPVIADADHGYGNALNVMRTVVELERAGIAALTIEDTLLPAQFGRKSTDLICVEEGVGKIRAALEARVDPALTIIARTNAELIDVDAVIQRTLAYQEAGADGICLVGVRDFAHLEAIAEHLHIPLMLVTYGNPQLRDDARLARLGVRVVVNGHAAYFAAIKATYDCLREERGAVASDLTASELSKKYTFPEEYQAWARDYMEVKE
brenda
Q9HUU1
C[C@H](C(=O)O)C(=O)C(=O)O>>CCC(=O)C(=O)[O-].O=C=O
250
0.344983
25
7.5
4.1.1.112
287
2.39794
C[C@H](C(=O)O)C(=O)C(=O)O
CCC(=O)C(=O)[O-].O=C=O
2.39794
C[C@H](C(=O)O)C(=O)C(=O)O__MHRASHHELRAMFRALLDSSRCYHTASVFDPMSARIAADLGFECGILGGSVASLQVLAAPDFALITLSEFVEQATRIGRVARLPVIADADHGYGNALNVMRTVVELERAGIAALTIEDTLLPAQFGRKSTDLICVEEGVGKIRAALEARVDPALTIIARTNAELIDVDAVIQRTLAYQEAGADGICLVGVRDFAHLEAIAEHLHIPLMLVTYGNPQLRDDARLARLGVRVVVNGHAAYFAAIKATYDCLREERGAVASDLTASELSKKYTFPEEYQAWARDYMEVKE
3,705
3,709
1,508
3,474
AF-Q9HUU1-F1-model_v4.pdb
MVIKESFEIARQVYEKWGINIEEVLENLQQASISHPLLAGDDVKRFEADASELSGGIDVTGNYPGKQEMLKNKAGFRESAVINSRKTSTYTPIMQKTNGEKVERRSVRTETFGKLGNWGKKNGYRAGFKSYLFSHEKQQMDGRGLFRIRELENLGSTHCIRSRRIGEYLARAGHMLTIYDPDAIRRSKRPIDSKEAIKRIMDKIFSVEINEKYNLDAVESKLFGIGSESFVVGSHEFYLGYALQNNKIYLLDTGHFHPTETVSNKISSILLYSDRLALHVSRPVRWDSDHVVILDDELREIALEIVRNDALHKVLIGLDFFDASINRLAAWVIGTRNMIKALLYAMLMPHEYLKQLQEKGNFTERLAVMEEFKTYPFGAIWDYYCEKMNVPVREEWLKEIQKYEEEVLTKRL
brenda
A8CEF6
OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@H](O)CO
34.5
0
65
7
5.3.1.14
33,936
1.537819
OC[C@H]1OC(O)[C@H](O)[C@@H]1O
O=C(CO)[C@H](O)[C@H](O)CO
1.537819
OC[C@H]1OC(O)[C@H](O)[C@@H]1O__MVIKESFEIARQVYEKWGINIEEVLENLQQASISHPLLAGDDVKRFEADASELSGGIDVTGNYPGKQEMLKNKAGFRESAVINSRKTSTYTPIMQKTNGEKVERRSVRTETFGKLGNWGKKNGYRAGFKSYLFSHEKQQMDGRGLFRIRELENLGSTHCIRSRRIGEYLARAGHMLTIYDPDAIRRSKRPIDSKEAIKRIMDKIFSVEINEKYNLDAVESKLFGIGSESFVVGSHEFYLGYALQNNKIYLLDTGHFHPTETVSNKISSILLYSDRLALHVSRPVRWDSDHVVILDDELREIALEIVRNDALHKVLIGLDFFDASINRLAAWVIGTRNMIKALLYAMLMPHEYLKQLQEKGNFTERLAVMEEFKTYPFGAIWDYYCEKMNVPVREEWLKEIQKYEEEVLTKRL
3,685
3,685
1,483
3,449
AF-A8CEF6-F1-model_v4.pdb
MSCARITVTLPYRSAKTSIQRGITHYPALIRPRFSACTPLASAMPLSSTPLINGDNSQRKNTRQHMEESSSKRREYLLEETTRKLQRNDTESVEKLKLIDNIQQLGIGYYFEDAINAVLRSPFSTGEEDLFTAALRFRLLRHNGIEISPEIFLKFKDERGKFDESDTLGLLSLYEASNLGVAGEEILEEAMEFAEARLRRSLSEPAAPLHGEVAQALDVPRHLRMARLEARRFIEQYGKQSDHDGDLLELAILDYNQVQAQHQSELTEIIRWWKELGLVDKLSFGRDRPLECFLWTVGLLPEPKYSSVRIELAKAISILLVIDDIFDTYGEMDDLILFTDAIRRWDLEAMEGLPEYMKICYMALYNTTNEVCYKVLRDTGRIVLLNLKSTWIDMIEGFMEEAKWFNGGSAPKLEEYIENGVSTAGAYMAFAHIFFLIGEGVTHQNSQLFTQKPYPKVFSAAGRILRLWDDLGTAKEEQERGDLASCVQLFMKEKSLTEEEARSRILEEIKGLWRDLNGELVYNKNLPLSIIKVALNMARASQVVYKHDQDTYFSSVDNYVDALFFTQ
sabio
Q6USK1
CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O>>CC(C)=CCCC(C)=CCO.O=P(O)(O)OP(=O)(O)O
0.8
0
32
8
3.1.7.11
39,350
-0.09691
CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O
CC(C)=CCCC(C)=CCO.O=P(O)(O)OP(=O)(O)O
-0.09691
CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O__MSCARITVTLPYRSAKTSIQRGITHYPALIRPRFSACTPLASAMPLSSTPLINGDNSQRKNTRQHMEESSSKRREYLLEETTRKLQRNDTESVEKLKLIDNIQQLGIGYYFEDAINAVLRSPFSTGEEDLFTAALRFRLLRHNGIEISPEIFLKFKDERGKFDESDTLGLLSLYEASNLGVAGEEILEEAMEFAEARLRRSLSEPAAPLHGEVAQALDVPRHLRMARLEARRFIEQYGKQSDHDGDLLELAILDYNQVQAQHQSELTEIIRWWKELGLVDKLSFGRDRPLECFLWTVGLLPEPKYSSVRIELAKAISILLVIDDIFDTYGEMDDLILFTDAIRRWDLEAMEGLPEYMKICYMALYNTTNEVCYKVLRDTGRIVLLNLKSTWIDMIEGFMEEAKWFNGGSAPKLEEYIENGVSTAGAYMAFAHIFFLIGEGVTHQNSQLFTQKPYPKVFSAAGRILRLWDDLGTAKEEQERGDLASCVQLFMKEKSLTEEEARSRILEEIKGLWRDLNGELVYNKNLPLSIIKVALNMARASQVVYKHDQDTYFSSVDNYVDALFFTQ
1,758
1,418
2,464
1,719
AF-Q6USK1-F1-model_v4.pdb
MGLHRDEATAMETLFRVSLRLLPVSAAVTCRSIRFPVSRPGSSHLLNRKLYNLPTSSSSSLSTKAGWLLGLGEKKKKVDLPEIVASGDPVLHEKAREVDPGEIGSERIQKIIDDMIKVMRLAPGVGLAAPQIGVPLRIIVLEDTKEYISYAPKEEILAQERRHFDLMVMVNPVLKERSNKKALFFEGCLSVDGFRAAVERYLEVVVTGYDRQGKRIEVNASGWQARILQHECDHLDGNLYVDKMVPRTFRTVDNLDLPLAEGCPKLGPQ
sabio
Q9FV53
*C(NC(=O)C(*)NC(=O)C(*)NC(=O)C(CCSC)NC=O)C(=O)O.O>>*C(NC(=O)C(*)NC(=O)C(*)NC(=O)C(N)CCSC)C(=O)O.O=CO
22
0
37
7.5
3.5.1.88
3,702
1.342423
*C(NC(=O)C(*)NC(=O)C(*)NC(=O)C(CCSC)NC=O)C(=O)O.O
*C(NC(=O)C(*)NC(=O)C(*)NC(=O)C(N)CCSC)C(=O)O.O=CO
1.342423
*C(NC(=O)C(*)NC(=O)C(*)NC(=O)C(CCSC)NC=O)C(=O)O.O__MGLHRDEATAMETLFRVSLRLLPVSAAVTCRSIRFPVSRPGSSHLLNRKLYNLPTSSSSSLSTKAGWLLGLGEKKKKVDLPEIVASGDPVLHEKAREVDPGEIGSERIQKIIDDMIKVMRLAPGVGLAAPQIGVPLRIIVLEDTKEYISYAPKEEILAQERRHFDLMVMVNPVLKERSNKKALFFEGCLSVDGFRAAVERYLEVVVTGYDRQGKRIEVNASGWQARILQHECDHLDGNLYVDKMVPRTFRTVDNLDLPLAEGCPKLGPQ
924
430
69
75
AF-Q9FV53-F1-model_v4.pdb
MENRRKFTRALSLRERVEDTLSDHRNELVALLSRYLDQGKRILQPHDLIDQLDIVIGDDEAKQQLKNGPFSEVLKSAQEAIVLPPYVALAVRPRPGVWDYVRVNVYELSVEELTVSEYLHFKEELVDGESSDKYVLELDFEPFNAAFPRPTRSSSIGNGVQFLNRHLSSIMFRNRESLDPLLDFLRAHKYKGHPLMLNDRIQSVSKLQSALAKAEDHLSKLQPETPYSEFEYLFQGMGFERGWGDTAVHVLEMMHLLLDILQAPDPSILETFLGRIPMVFNVVILSPHGYFGQANVLGLPDTGGQIVYILDQVRALEKEMLERIRKQGLDFTPRILIVTRLIPEAKGTTCNQRLERISGTEHTHILRVPFRSEKGILRKWISRFDLWPYLETFAEDAAGEIVAELQGYPDFIIGNYSDGNLVASLLAYKMGVTQCTIAHALEKTKYPNSDIYWKKFEEEYHFSTQFTADLIAMNNADFIITSTYQEIAGTKDPVGQYESHSSYTLPGQYRVVHGINVFDPKFNIVSPGADMTIYFPYSEKQKRLTSLHGSLEELLYNPDQNDVHIGTLSDRSKPIIFSMARLDQVKNMTGLVECYAKCSKLRDLANLVIVAGYIDAKKSRDREEIAEIEKMHNLMIEYKLDGQFRWISSQTNRVSNGELYRYIADTRGAFAQPAFYEAFGLTVVEAMSCGLPTFATIHGGPAEIIEHGVSGFHIDPYHPEKAAALMADFFQRCKEDPSYWNTISDAGLQRIYEKYTWKIYSERLMTLAGVYGFWKYVSKLERRETRRYLEMFYILKFRDLAKSVPEAIDDAH
uniprot_search
Q9FRX3
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
0.7
0
30
8
2.4.1.13
3,767
-0.154902
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
1.271842
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O__MENRRKFTRALSLRERVEDTLSDHRNELVALLSRYLDQGKRILQPHDLIDQLDIVIGDDEAKQQLKNGPFSEVLKSAQEAIVLPPYVALAVRPRPGVWDYVRVNVYELSVEELTVSEYLHFKEELVDGESSDKYVLELDFEPFNAAFPRPTRSSSIGNGVQFLNRHLSSIMFRNRESLDPLLDFLRAHKYKGHPLMLNDRIQSVSKLQSALAKAEDHLSKLQPETPYSEFEYLFQGMGFERGWGDTAVHVLEMMHLLLDILQAPDPSILETFLGRIPMVFNVVILSPHGYFGQANVLGLPDTGGQIVYILDQVRALEKEMLERIRKQGLDFTPRILIVTRLIPEAKGTTCNQRLERISGTEHTHILRVPFRSEKGILRKWISRFDLWPYLETFAEDAAGEIVAELQGYPDFIIGNYSDGNLVASLLAYKMGVTQCTIAHALEKTKYPNSDIYWKKFEEEYHFSTQFTADLIAMNNADFIITSTYQEIAGTKDPVGQYESHSSYTLPGQYRVVHGINVFDPKFNIVSPGADMTIYFPYSEKQKRLTSLHGSLEELLYNPDQNDVHIGTLSDRSKPIIFSMARLDQVKNMTGLVECYAKCSKLRDLANLVIVAGYIDAKKSRDREEIAEIEKMHNLMIEYKLDGQFRWISSQTNRVSNGELYRYIADTRGAFAQPAFYEAFGLTVVEAMSCGLPTFATIHGGPAEIIEHGVSGFHIDPYHPEKAAALMADFFQRCKEDPSYWNTISDAGLQRIYEKYTWKIYSERLMTLAGVYGFWKYVSKLERRETRRYLEMFYILKFRDLAKSVPEAIDDAH
98
2,583
4,110
3,960
AF-Q9FRX3-F1-model_v4.pdb
MTALSPIPVFDAADTAALLAYPALLATLGQAVADYAAGEIVSPERLVVPLQAGGVMLSMPSSARDLATHKLVNVCPGNGARGLPTILGQVTAYDASTGEMRFALDGPTVTGRRTAAVTALGIQALHGAAPRDILLIGTGKQAANHAEALAAIFPEARLHVRGTSADSAAAFCAAHRAQAPRLVPLDGDAIPDAIDVVVTLTTSRTPVYREAAREGRLVVGVGAFTADAAEIDANTVRASRLVVDDPAGARHEAGDLIVAQVDWQHVASLADVLGGTFDRSGPLLFKSVGCAAWDLAACRTARDALAARRAG
brenda
V5YW53
Cc1ccc(Oc2ncccc2N=C(O)c2ccc3c(c2)OCCCO3)c2c1CCC2.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+]>>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(O)[C@@H]1C[C@@H](O)CN1
10.35
14.090116
30
6.5
1.5.1.1
192
1.01494
Cc1ccc(Oc2ncccc2N=C(O)c2ccc3c(c2)OCCCO3)c2c1CCC2.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+]
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(O)[C@@H]1C[C@@H](O)CN1
1.01494
Cc1ccc(Oc2ncccc2N=C(O)c2ccc3c(c2)OCCCO3)c2c1CCC2.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+]__MTALSPIPVFDAADTAALLAYPALLATLGQAVADYAAGEIVSPERLVVPLQAGGVMLSMPSSARDLATHKLVNVCPGNGARGLPTILGQVTAYDASTGEMRFALDGPTVTGRRTAAVTALGIQALHGAAPRDILLIGTGKQAANHAEALAAIFPEARLHVRGTSADSAAAFCAAHRAQAPRLVPLDGDAIPDAIDVVVTLTTSRTPVYREAAREGRLVVGVGAFTADAAEIDANTVRASRLVVDDPAGARHEAGDLIVAQVDWQHVASLADVLGGTFDRSGPLLFKSVGCAAWDLAACRTARDALAARRAG
2,568
5,026
2,121
3,874
AF-V5YW53-F1-model_v4.pdb
MNLSTANHHIPLNDGNSIPIIGLGTYSDPRPVPGKTFIAVKTAIDEGYRHIDGAYVYRNEHEVGEAIREKVAEGKVKREEIFYCGKLWSTDHDPEMVRPALERTLQTLKLDYIDLYIIEMPMAFKPGEEFYPKDENGRVIYHKSNLCATWEALEACKDAGLVKSLGVSNFNRRQLEVILNKPGLKYKPVTNQVECHPYFTQTKLLEVSASSMTSFIVAYSPLGTCRNPLWVNVSSPPLLKDELLTSLGKKYNKTQAQIVLRFDIQRGLVVIPKSTTPERIKENFQIFDFSLTKEEMKDIEALNKNVRFVEMLMWSDHPEYPFHDEY
sabio
P31210
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.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]>>CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.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
29.4
0
25
7.4
1.3.1.3
10,116
1.468347
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.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]
CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.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
1.468347
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.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]__MNLSTANHHIPLNDGNSIPIIGLGTYSDPRPVPGKTFIAVKTAIDEGYRHIDGAYVYRNEHEVGEAIREKVAEGKVKREEIFYCGKLWSTDHDPEMVRPALERTLQTLKLDYIDLYIIEMPMAFKPGEEFYPKDENGRVIYHKSNLCATWEALEACKDAGLVKSLGVSNFNRRQLEVILNKPGLKYKPVTNQVECHPYFTQTKLLEVSASSMTSFIVAYSPLGTCRNPLWVNVSSPPLLKDELLTSLGKKYNKTQAQIVLRFDIQRGLVVIPKSTTPERIKENFQIFDFSLTKEEMKDIEALNKNVRFVEMLMWSDHPEYPFHDEY
1,329
3,893
6,212
875
AF-P31210-F1-model_v4.pdb
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
brenda
Q8KQ59
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O>>
3
99.799835
30
7
3.5.2.6
573
0.477121
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O
null
0.477121
CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O__MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
1,458
402
35
1,126
AF-Q8KQ59-F1-model_v4.pdb
MNSKCHCVILNDGNFIPVLGFGTALPLECPKSKAKELTKIAIDAGFHHFDSASVYNTEDHVGEAIRSKIADGTVRREDIFYTSKVWCTSLHPELVRASLERSLQKLQFDYVDLYLIHYPMALKPGEENFPVDEHGKLIFDRVDLCATWEAMEKCKDAGLTKSIGVSNFNYRQLEMILNKPGLKYKPVCNQVECHPYLNQMKLLDFCKSKDIVLVAYGVLGTQRYGGWVDQNSPVLLDEPVLGSMAKKYNRTPALIALRYQLQRGIVVLNTSLKEERIKENMQVFEFQLSSEDMKVLDGLNRNMRYIPAAIFKGHPNWPFLDEY
brenda
Q91WR5
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.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>>C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.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
0.105
0.047327
25
7
1.1.1.209
10,090
-0.978811
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.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
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.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
-0.978811
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.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__MNSKCHCVILNDGNFIPVLGFGTALPLECPKSKAKELTKIAIDAGFHHFDSASVYNTEDHVGEAIRSKIADGTVRREDIFYTSKVWCTSLHPELVRASLERSLQKLQFDYVDLYLIHYPMALKPGEENFPVDEHGKLIFDRVDLCATWEAMEKCKDAGLTKSIGVSNFNYRQLEMILNKPGLKYKPVCNQVECHPYLNQMKLLDFCKSKDIVLVAYGVLGTQRYGGWVDQNSPVLLDEPVLGSMAKKYNRTPALIALRYQLQRGIVVLNTSLKEERIKENMQVFEFQLSSEDMKVLDGLNRNMRYIPAAIFKGHPNWPFLDEY
1,329
1,150
6,214
878
AF-Q91WR5-F1-model_v4.pdb
MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS
brenda
O63067
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.N[C@@H](CCO)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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+]
0.052
0
25
8
1.1.1.3
3,847
-1.283997
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.N[C@@H](CCO)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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+]
1.006466
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.N[C@@H](CCO)C(=O)O__MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS
2,215
4,451
4,356
4,241
AF-O63067-F1-model_v4.pdb
MAYRALMVLRMDPADAEHVAAAFAEHDTTELPLEIGVRRRVLFRFHDLYMHLIEADDDIMERLYQARSHPLFQEVNERVGQYLTPYAQDWEELKDSKAEVFYSWTAPDS
brenda
P39890
CC(=O)c1c(CC(=O)CC(=O)O)cc2cc3cc(O)cc(O)c3c(O)c2c1O>>Cc1c(C(=O)O)c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3.O
0.142
0
30
7.5
4.2.1.154
1,907
-0.847712
CC(=O)c1c(CC(=O)CC(=O)O)cc2cc3cc(O)cc(O)c3c(O)c2c1O
Cc1c(C(=O)O)c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3.O
-0.847712
CC(=O)c1c(CC(=O)CC(=O)O)cc2cc3cc(O)cc(O)c3c(O)c2c1O__MAYRALMVLRMDPADAEHVAAAFAEHDTTELPLEIGVRRRVLFRFHDLYMHLIEADDDIMERLYQARSHPLFQEVNERVGQYLTPYAQDWEELKDSKAEVFYSWTAPDS
1,576
1,155
3,000
1,348
AF-P39890-F1-model_v4.pdb
MIIVTPRYTIIEDGAINKIEEILKKLNLKNPLVITGKNTKKYCRFFYDIVYYDEILNNLEIELKKYTAYDCVIGIGGGRSIDTGKYLAYKLGIPFISVPTTASNDGIASPIVSIRQPSFMVDAPIAIIADTEIIKKSPRRLLSAGMGDIVSNITAVLDWKLAYKEKGEKYSESSAIFSKTIAKELISYVLNSDLSEYHNKLVKALVGSGIAIAIANSSRPASGSEHLFSHALDKLKEEYNLNINSLHGEQCGIGTIMMSYLHEKENKKLSGLHEKIKMSLKKVDAPTTAKELGFDEDIIIEALTMAHKIRNRWTILRDGLSREEARKLAEETGVI
brenda
Q58122
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.O=C(CO)COP(=O)(O)O.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)CO
2.78
0
50
7
1.1.1.261
2,190
0.444045
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.O=C(CO)COP(=O)(O)O.[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)CO
0.444045
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.O=C(CO)COP(=O)(O)O.[H+]__MIIVTPRYTIIEDGAINKIEEILKKLNLKNPLVITGKNTKKYCRFFYDIVYYDEILNNLEIELKKYTAYDCVIGIGGGRSIDTGKYLAYKLGIPFISVPTTASNDGIASPIVSIRQPSFMVDAPIAIIADTEIIKKSPRRLLSAGMGDIVSNITAVLDWKLAYKEKGEKYSESSAIFSKTIAKELISYVLNSDLSEYHNKLVKALVGSGIAIAIANSSRPASGSEHLFSHALDKLKEEYNLNINSLHGEQCGIGTIMMSYLHEKENKKLSGLHEKIKMSLKKVDAPTTAKELGFDEDIIIEALTMAHKIRNRWTILRDGLSREEARKLAEETGVI
2,226
4,464
4,369
4,256
AF-Q58122-F1-model_v4.pdb
MMLIAKKPLLLLLLLLVLLVLEPRSSAEANLVGVNGGETDERRLESLVYDELPFSQLGLGFPTTVVAGGSENDVEEVVQAWYMDDDDNAEEDQRLPHRHQPDDLLPLAKLLDLGLVAMRLDADNHEHDENLKIMREQRGYLHMDIVELTPEKMPNYEVMIKRFFEEHLHTDEEVRYCLDGSGYFDVRDENDKWVRVSVRKGALIVVPAGIYHRFTLDTNNYIKMGPGGLLFGFLQTMRLFSGGPDWTAYNRPHDHLPERKKYLEALHNRTPRFGQLHRIRSKME
uniprot_search
Q01KN6
CCC(=O)/C(O)=C\O.O=O>>CCC(=O)C(=O)O.O=CO
11.8
0
30
7.5
1.13.11.54
4,530
1.071882
CCC(=O)/C(O)=C\O.O=O
CCC(=O)C(=O)O.O=CO
1.071882
CCC(=O)/C(O)=C\O.O=O__MMLIAKKPLLLLLLLLVLLVLEPRSSAEANLVGVNGGETDERRLESLVYDELPFSQLGLGFPTTVVAGGSENDVEEVVQAWYMDDDDNAEEDQRLPHRHQPDDLLPLAKLLDLGLVAMRLDADNHEHDENLKIMREQRGYLHMDIVELTPEKMPNYEVMIKRFFEEHLHTDEEVRYCLDGSGYFDVRDENDKWVRVSVRKGALIVVPAGIYHRFTLDTNNYIKMGPGGLLFGFLQTMRLFSGGPDWTAYNRPHDHLPERKKYLEALHNRTPRFGQLHRIRSKME
3,210
2,017
3,665
2,515
AF-Q01KN6-F1-model_v4.pdb
MKIALVISFGLLLFTNMVCADDSLPELDIQKIEDGVYLYTAYEKIEGWGLVGSNGLVVLDNKNAYLIDTPISATDTEKLVKWIDAQGFTAKASISTHFHTDSTGGIAFLNSKSIPTYASKLTNQLLKNKGEEQATHSFGKNPYWLLKNKIEAFYPGAGHTPDNLVVWLPKQKILFGGCFVKPEGLGNLSHAVIAEWPASAEKLIARYSNATMVVPGHGKVGDASLLEKTRQRAVEALAAKK
brenda
A8R403
O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>
686
99.769856
30
8
3.5.2.6
546
2.836324
O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12
null
2.836324
O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12__MKIALVISFGLLLFTNMVCADDSLPELDIQKIEDGVYLYTAYEKIEGWGLVGSNGLVVLDNKNAYLIDTPISATDTEKLVKWIDAQGFTAKASISTHFHTDSTGGIAFLNSKSIPTYASKLTNQLLKNKGEEQATHSFGKNPYWLLKNKIEAFYPGAGHTPDNLVVWLPKQKILFGGCFVKPEGLGNLSHAVIAEWPASAEKLIARYSNATMVVPGHGKVGDASLLEKTRQRAVEALAAKK
1,448
1,335
6,262
1,607
AF-A8R403-F1-model_v4.pdb
MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPHHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPRGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL
sabio
P56216
COc1cc(CO)ccc1O.O=O>>COc1cc(C=O)ccc1O.OO
1.6
0
25
7.5
1.1.3.38
69,488
0.20412
COc1cc(CO)ccc1O.O=O
COc1cc(C=O)ccc1O.OO
0.380211
COc1cc(CO)ccc1O.O=O__MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPHHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPRGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL
3,393
3,026
558
638
AF-P56216-F1-model_v4.pdb
MQAATVVINRRALRHNLQRLRELAPASKMVAVVKANAYGHGLLETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEGFFDARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVWMKLDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHFARADEPKCGATEKQLAIFNTFCEGKPGQRSIAASGGILLWPQSHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSSLIAVREHKAGEPVGYGGTWVSERDTRLGVVAMGYGDGYPRAAPSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGDPVILWGEGLPVERIAEMTKVSAYELITRLTSRVAMKYVD
sabio
P0A6B4
CC(N)C(=O)O>>CC(N)C(=O)O
194,340
0
30
8
5.1.1.1
562
5.288562
CC(N)C(=O)O
CC(N)C(=O)O
5.288562
CC(N)C(=O)O__MQAATVVINRRALRHNLQRLRELAPASKMVAVVKANAYGHGLLETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEGFFDARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVWMKLDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHFARADEPKCGATEKQLAIFNTFCEGKPGQRSIAASGGILLWPQSHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSSLIAVREHKAGEPVGYGGTWVSERDTRLGVVAMGYGDGYPRAAPSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGDPVILWGEGLPVERIAEMTKVSAYELITRLTSRVAMKYVD
2,940
1,674
3,283
2,081
AF-P0A6B4-F1-model_v4.pdb
MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR
uniprot_search
A0A446ZJB9
O=C(O)C=CC=C(Cl)C(=O)O>>C1C=CC=C(C(=O)O1)Cl
1,020
9.933812
25
7.5
5.5.1.1
471
3.0086
O=C(O)C=CC=C(Cl)C(=O)O
C1C=CC=C(C(=O)O1)Cl
3.0086
O=C(O)C=CC=C(Cl)C(=O)O__MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR
1,022
564
226
245
AF-A0A446ZJB9-F1-model_v4.pdb
NTLANHGFLPRNGRNISVPMIVKAGFEGYNVQSDILITAGKVGMLTSREADTISLEDLKLHGTIEHD
uniprot_search
A0A023H437
COc1ccc(CO)cc1OC.OO>>COc1ccc(C=O)cc1OC.O
49
4.650268
25
5.5
1.11.2.1
182,057
1.690196
COc1ccc(CO)cc1OC.OO
COc1ccc(C=O)cc1OC.O
1.690196
COc1ccc(CO)cc1OC.OO__NTLANHGFLPRNGRNISVPMIVKAGFEGYNVQSDILITAGKVGMLTSREADTISLEDLKLHGTIEHD
1,078
647
324
363
AF-A0A023H437-F1-model_v4.pdb
MIVRCLSAARRLHRVGGSGILLRMTLGREAMSPLQAMSSYTVDGRNVLRWDLSPEQIKRRTEELIAQTKQVYDDIGMLDIEEVTYENCLQALADVEVKYIVERTMLDFPQHVSSDKEVRAASTEADKRLSRFDIEMSMREDIFLRIVRLKETCDLGKIKPEARRYLEKSVKMGKRNGLHLPEQVQNEIKAMKKRMSELCIDFNKNLNEDDTFLVFSKAELGALPDDFIDSLEKTDDNKYKITLKYPHYFPVMKKCCIPETRRKMEMAFNTRCKEENTIILQELLPLRAKVAKLLGYSTHADFVLEMNTAKSTHHVTAFLDDLSQKLKPLGEAEREFILNLKKKECEEKGFEYDGKINAWDLHYYMTQTEELKYSVDQEILKEYFPIEVVTEGLLNIYQELLGLSFEQVTDAHVWNKSVTLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPRAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDTDSLRRLSKHYKDGSPITDDLLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNTSLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFYSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLKREPNQKAFLMSRGLHAP
uniprot_search
Q02038
N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
1.6
33.323726
37
7.4
3.4.24.16
9,823
0.20412
N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O
N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
0.20412
N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O__MIVRCLSAARRLHRVGGSGILLRMTLGREAMSPLQAMSSYTVDGRNVLRWDLSPEQIKRRTEELIAQTKQVYDDIGMLDIEEVTYENCLQALADVEVKYIVERTMLDFPQHVSSDKEVRAASTEADKRLSRFDIEMSMREDIFLRIVRLKETCDLGKIKPEARRYLEKSVKMGKRNGLHLPEQVQNEIKAMKKRMSELCIDFNKNLNEDDTFLVFSKAELGALPDDFIDSLEKTDDNKYKITLKYPHYFPVMKKCCIPETRRKMEMAFNTRCKEENTIILQELLPLRAKVAKLLGYSTHADFVLEMNTAKSTHHVTAFLDDLSQKLKPLGEAEREFILNLKKKECEEKGFEYDGKINAWDLHYYMTQTEELKYSVDQEILKEYFPIEVVTEGLLNIYQELLGLSFEQVTDAHVWNKSVTLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPRAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDTDSLRRLSKHYKDGSPITDDLLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNTSLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFYSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLKREPNQKAFLMSRGLHAP
1,820
1,500
3,201
1,829
AF-Q02038-F1-model_v4.pdb
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
uniprot_search
P25779
CC(=O)[C@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)c1ccccc1N.O>>
5.6
99.92066
26.666667
6.125
3.4.22.51
5,693
0.748188
CC(=O)[C@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)c1ccccc1N.O
null
0.748188
CC(=O)[C@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)c1ccccc1N.O__MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
1,573
1,145
984
1,328
AF-P25779-F1-model_v4.pdb
MNGKIVLEEHVSSELNNSVWDSAGETARNGKAYMDDVEWRLLDSDRRVEEMEQNGIDISIISLTSPGAQGILDTKKAVDFARQTNDYIRERFVDKHPSRLKAFATVALQSPADAADELERAVNDLGFVGALINGYTNIGNADSAQYLDESPVWEFWERVAALNVPVYLHPREPLPSQRRIYDGYPSLVGSAWGFAHETATHAIRLMLSGLFDKYPNLTIILGHLGEGLPLMLPRLQHRLNMQREGVGLGSAKQTVGHYLSNNFYLTTAGHFHTKGLLDSISEVGVDRMLFSADYPYESMKTASTWFDNALISDNDRIKIGRENALRLFAL
uniprot_search
A0A379IB69
N/C(C(=O)O)=C(/C=C\C=O)C(=O)O>>N/C(=C/C=C\C=O)C(=O)O.O=C=O
1.4
0
22
6.5
4.1.1.45
294
0.146128
N/C(C(=O)O)=C(/C=C\C=O)C(=O)O
N/C(=C/C=C\C=O)C(=O)O.O=C=O
1.0086
N/C(C(=O)O)=C(/C=C\C=O)C(=O)O__MNGKIVLEEHVSSELNNSVWDSAGETARNGKAYMDDVEWRLLDSDRRVEEMEQNGIDISIISLTSPGAQGILDTKKAVDFARQTNDYIRERFVDKHPSRLKAFATVALQSPADAADELERAVNDLGFVGALINGYTNIGNADSAQYLDESPVWEFWERVAALNVPVYLHPREPLPSQRRIYDGYPSLVGSAWGFAHETATHAIRLMLSGLFDKYPNLTIILGHLGEGLPLMLPRLQHRLNMQREGVGLGSAKQTVGHYLSNNFYLTTAGHFHTKGLLDSISEVGVDRMLFSADYPYESMKTASTWFDNALISDNDRIKIGRENALRLFAL
1,960
4,389
4,280
4,154
AF-A0A379IB69-F1-model_v4.pdb
MWMWRGSLLLLLLLAAAVAAAAEPASTLTGPSRPVTVALREDRGHAVDLPDTDPRVQRRATGWAPEQIAVALSAAPTSAWVSWITGEFQMGGTVKPLDPGTVGSVVRYGLAADSLVRQASGDALVYSQLYPFEGLQNYTSGIIHHVRLQGLEPATKYYYQCGDPALPGAMSAVHAFRTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVDHMASNRPDLVLLVGDVCYANMYLTNGTGADCYSCAFGKSTPIHETYQPRWDYWGRYMEAVTSGTPMMVVEGNHEIEEQIGNKTFAAYRSRFAFPSTESGSFSPFYYSFDAGGIHFLMLGAYADYGRSGEQYRWLEKDLAKVDRSVTPWLVAGWHAPWYTTYKAHYREVECMRVAMEELLHSHGLDIAFTGHVHAYERSNRVFNYTLDPCGAVHISVGDGGNREKMATTHADEPGHCPDPRPKPNAFIGGFCASNFTSGPAAGRFCWDRQPDYSAYRESSFGHGILEVKNETHALWRWHRNQDHYGSAGDEIYIVREPHRCLHKHNSSRPAHGRSNTTRESGG
brenda
C4PKK7
O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
279
1.345332
36
5
3.1.3.8
4,565
2.445604
O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O
O=P(O)(O)O.O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
2.445604
O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O__MWMWRGSLLLLLLLAAAVAAAAEPASTLTGPSRPVTVALREDRGHAVDLPDTDPRVQRRATGWAPEQIAVALSAAPTSAWVSWITGEFQMGGTVKPLDPGTVGSVVRYGLAADSLVRQASGDALVYSQLYPFEGLQNYTSGIIHHVRLQGLEPATKYYYQCGDPALPGAMSAVHAFRTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVDHMASNRPDLVLLVGDVCYANMYLTNGTGADCYSCAFGKSTPIHETYQPRWDYWGRYMEAVTSGTPMMVVEGNHEIEEQIGNKTFAAYRSRFAFPSTESGSFSPFYYSFDAGGIHFLMLGAYADYGRSGEQYRWLEKDLAKVDRSVTPWLVAGWHAPWYTTYKAHYREVECMRVAMEELLHSHGLDIAFTGHVHAYERSNRVFNYTLDPCGAVHISVGDGGNREKMATTHADEPGHCPDPRPKPNAFIGGFCASNFTSGPAAGRFCWDRQPDYSAYRESSFGHGILEVKNETHALWRWHRNQDHYGSAGDEIYIVREPHRCLHKHNSSRPAHGRSNTTRESGG
1,143
742
5,269
6,140
AF-C4PKK7-F1-model_v4.pdb
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
sabio
P9WKE1
Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
4.5
0
30
7.4
2.7.4.9
1,773
0.653213
Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
0.653213
Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O__MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
2,022
4,183
4,052
3,899
AF-P9WKE1-F1-model_v4.pdb
MSVAGGEIRGDTGGEDTAAPGRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYPAHLARSSSRKYTELPHGAISEDQAVGPADIPCDSTGQTST
brenda
Q9H773
N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1CO.O>>N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1CO.O=P(O)(O)OP(=O)(O)O
5.6
0
25
8
3.6.1.12
9,606
0.748188
N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1CO.O
N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1CO.O=P(O)(O)OP(=O)(O)O
0.748188
N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1CO.O__MSVAGGEIRGDTGGEDTAAPGRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYPAHLARSSSRKYTELPHGAISEDQAVGPADIPCDSTGQTST
2,067
4,244
4,121
3,972
AF-Q9H773-F1-model_v4.pdb
MENQVKVLNLWASPFGLRVLVGLEEKGVKYEYQEENLPSKSELLLKMNPIHKKIPVLIHNDKPVLESLIIVEYIDEAWPNTNPFMPSSAYERARARFWADFVDKKIYDNGSALIMKCKGEAQEEAKRNMLEYLGLLEGALDELSGGIKPYFGGEKFGYMDIAFIPFASWFQAWEVMGNWKIPLETQFPRLHEWVNACMERESVKKVLPHPEKVAEFAMQIRQRFVGSD
brenda
Q6DNI8
N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+](O)c1c(Cl)cccc1N([O-])O>>Cl.N[C@@H](CCC(O)=N[C@@H](CSc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(O)=NCC(=O)O)C(=O)O
6
0.19711
30
8.75
2.5.1.18
88,731
0.778151
N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+](O)c1c(Cl)cccc1N([O-])O
Cl.N[C@@H](CCC(O)=N[C@@H](CSc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(O)=NCC(=O)O)C(=O)O
0.778151
N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+](O)c1c(Cl)cccc1N([O-])O__MENQVKVLNLWASPFGLRVLVGLEEKGVKYEYQEENLPSKSELLLKMNPIHKKIPVLIHNDKPVLESLIIVEYIDEAWPNTNPFMPSSAYERARARFWADFVDKKIYDNGSALIMKCKGEAQEEAKRNMLEYLGLLEGALDELSGGIKPYFGGEKFGYMDIAFIPFASWFQAWEVMGNWKIPLETQFPRLHEWVNACMERESVKKVLPHPEKVAEFAMQIRQRFVGSD
3,470
5,322
2,589
5,414
AF-Q6DNI8-F1-model_v4.pdb
MKKVLSLTALMMVLNHSSFAYPMPNPFPPFRIAGNLYYVGTDDLASYLIVTPRGNILINSDLEANVPMIKASIKKLGFKFSDTKILLISHAHFDHAAGSELIKQQTKAKYMVMDEDVSVILSGGKSDFHYANDSSTYFTQSTVDKVLHDGERVELGGTVLTAHLTPGHTRGCTTWTMKLKDHGKQYQAVIIGSIGVNPGYKLVDNITYPKIAEDYKHSIKVLESMRCDIFLGSHAGMFDLKNKYVLLQKGQNNPFVDPTGCKNYIEQKANDFYTELKKQETA
sabio
Q9K578
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12.O>>
45
99.751544
30
6
3.5.2.6
464
1.653213
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12.O
null
1.653213
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12.O__MKKVLSLTALMMVLNHSSFAYPMPNPFPPFRIAGNLYYVGTDDLASYLIVTPRGNILINSDLEANVPMIKASIKKLGFKFSDTKILLISHAHFDHAAGSELIKQQTKAKYMVMDEDVSVILSGGKSDFHYANDSSTYFTQSTVDKVLHDGERVELGGTVLTAHLTPGHTRGCTTWTMKLKDHGKQYQAVIIGSIGVNPGYKLVDNITYPKIAEDYKHSIKVLESMRCDIFLGSHAGMFDLKNKYVLLQKGQNNPFVDPTGCKNYIEQKANDFYTELKKQETA
1,441
964
769
1,068
AF-Q9K578-F1-model_v4.pdb
MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGKDTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQGTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVSYREEELKSLRGNGTGERKEYDRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYVPRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINALARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
sabio
P08170
O=O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1>>
0.81
99.617218
25
9
1.13.11.12
3,847
-0.091515
O=O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
null
-0.091515
O=O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1__MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGKDTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQGTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVSYREEELKSLRGNGTGERKEYDRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYVPRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINALARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
3,283
2,117
3,786
2,646
AF-P08170-F1-model_v4.pdb
MKYEKLLPRFLEYVKVNTRSDENSTTTPSTQALVEFAHKMGEDMKALGLKDVHYLESNGYVIGTIPANTDKKVRKIGLLAHLDTADFNAEGVNPQILENYDGESVIKLGDTEFTLDPKDFPSLKNYKGQTLVHTDGTTLLGSDDKSGVAEIMTLAEYLLNINPDFEHGEIRVGFGPDEEIGVGADKFDVADFDVDFAYTVDGGPLGELQYETFSAAGAVIEFQGKNVHPGTAKNTMVNALQLAIDYHNALPEFDRPEKTEGREGFFHLLKLDGTPEEARAQYIIRDHEEGKFNERKALMQEIADKMNAEFGQNRVKPVIKDQYYNMAQIIEKDMSIIDIAKKAMENLDIVPIIEPIRGGTDGSKISFMGLPTPNLFAGGENMHGRFEFVSVQTMEKAVDTLLEIIRLNNEVVK
sabio
Q84BV2
CC(N=C(O)CN=C(O)CN)C(=O)O.O>>CC(N=C(O)CN)C(=O)O.NCC(=O)O
915
0
37
7.5
3.4.11.-
203,404
2.961421
CC(N=C(O)CN=C(O)CN)C(=O)O.O
CC(N=C(O)CN)C(=O)O.NCC(=O)O
2.961421
CC(N=C(O)CN=C(O)CN)C(=O)O.O__MKYEKLLPRFLEYVKVNTRSDENSTTTPSTQALVEFAHKMGEDMKALGLKDVHYLESNGYVIGTIPANTDKKVRKIGLLAHLDTADFNAEGVNPQILENYDGESVIKLGDTEFTLDPKDFPSLKNYKGQTLVHTDGTTLLGSDDKSGVAEIMTLAEYLLNINPDFEHGEIRVGFGPDEEIGVGADKFDVADFDVDFAYTVDGGPLGELQYETFSAAGAVIEFQGKNVHPGTAKNTMVNALQLAIDYHNALPEFDRPEKTEGREGFFHLLKLDGTPEEARAQYIIRDHEEGKFNERKALMQEIADKMNAEFGQNRVKPVIKDQYYNMAQIIEKDMSIIDIAKKAMENLDIVPIIEPIRGGTDGSKISFMGLPTPNLFAGGENMHGRFEFVSVQTMEKAVDTLLEIIRLNNEVVK
1,818
1,497
3,069
2,076
AF-Q84BV2-F1-model_v4.pdb
MVGQITLSKQKSVLQKKSLWASVALSGVLLAATLPVAQAAAPAADAAQAHDPLSVQTGSDIPASVHMPTDQQRDYIKREVMVPMRDGVKLYTVIVIPKNARNAPILLTRTPYNAKGRANRVPNALTMREVLPQGDDVFVEGGYIRVFQDIRGKYGSQGDYVMTRPPHGPLNPTKTDETTDAWDTVDWLVHNVPESNGRVGMTGSSYEGFTVVMALLDPHPALKVAAPESPMVDGWMGDDWFHYGAFRQGAFDYFVSQMTARGGGNDIPRRDADDYTNFLKAGSAGSFATQAGLDQYPFWQRMHAHPAYDAFWQGQALDKILAQRKPTVPMLWEQGLWDQEDMWGAIHAWQALKDADVKAPNTLVMGPWRHSGVNYNGSTLGPLEFEGDTAHQYRRDVFRPFFDEYLKPGSASVHLPDAIIYNTGDQKWDYYRSWPSVCESNCTGGLTPLYLADGHGLSFTHPAADGADSYVSDPAHPVPFISRPFAFAQSSRWKPWLVQDQREAESRPDVVTYETEVLDEPVRVSGVPVADLFAATSGTDSDWVVKLIDVQPAMTPDDPKMGGYELPVSMDIFRGRYRKDFAKPEALQPDATLHYHFTLPAVNHVFAKGHRIMVQIQSSWFPLYDRNPQKFVPNIFDAKPADYTVATQSIHHGGKEATSILLPVVKQ
brenda
Q8VRK8
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O>>CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.N=C(O)C(N)c1ccc(O)cc1
10
0.128314
30
6.2
3.1.1.43
438
1
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.N=C(O)C(N)c1ccc(O)cc1
1
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O__MVGQITLSKQKSVLQKKSLWASVALSGVLLAATLPVAQAAAPAADAAQAHDPLSVQTGSDIPASVHMPTDQQRDYIKREVMVPMRDGVKLYTVIVIPKNARNAPILLTRTPYNAKGRANRVPNALTMREVLPQGDDVFVEGGYIRVFQDIRGKYGSQGDYVMTRPPHGPLNPTKTDETTDAWDTVDWLVHNVPESNGRVGMTGSSYEGFTVVMALLDPHPALKVAAPESPMVDGWMGDDWFHYGAFRQGAFDYFVSQMTARGGGNDIPRRDADDYTNFLKAGSAGSFATQAGLDQYPFWQRMHAHPAYDAFWQGQALDKILAQRKPTVPMLWEQGLWDQEDMWGAIHAWQALKDADVKAPNTLVMGPWRHSGVNYNGSTLGPLEFEGDTAHQYRRDVFRPFFDEYLKPGSASVHLPDAIIYNTGDQKWDYYRSWPSVCESNCTGGLTPLYLADGHGLSFTHPAADGADSYVSDPAHPVPFISRPFAFAQSSRWKPWLVQDQREAESRPDVVTYETEVLDEPVRVSGVPVADLFAATSGTDSDWVVKLIDVQPAMTPDDPKMGGYELPVSMDIFRGRYRKDFAKPEALQPDATLHYHFTLPAVNHVFAKGHRIMVQIQSSWFPLYDRNPQKFVPNIFDAKPADYTVATQSIHHGGKEATSILLPVVKQ
3,130
999
815
1,135
AF-Q8VRK8-F1-model_v4.pdb
MRVLVTGGAGFIGSHLVDRLMEEGYKVRVLDDLSAGSLKNIEGWLGNENFEFIKGDMRDVEIVSKAVKDVDAVFHLAANPEVRIGSQSPELLYETNVLITYNLLNAVRNSGVKYLVFTSSSTVYGDAKVIPTPEDYAPLEPISVYGAAKLAAEALISGYAHTFDFRALIIRLANIIGKRSNHGVIYDFINKLKANPNELEILGDGTQRKSYLHISDTIDGIMKLFEHFLNGEERVDFYNLGNEDWITVKEIAEIVSEEMNLNPRFKFTGGVDGGRGWKGDVKLMLLSIEKAKRTGWKPRMNSYEAVRKTVREMLEENI
brenda
O73960
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
1.1
0
60
6.5
5.1.3.2
53,953
0.041393
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
0.041393
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O__MRVLVTGGAGFIGSHLVDRLMEEGYKVRVLDDLSAGSLKNIEGWLGNENFEFIKGDMRDVEIVSKAVKDVDAVFHLAANPEVRIGSQSPELLYETNVLITYNLLNAVRNSGVKYLVFTSSSTVYGDAKVIPTPEDYAPLEPISVYGAAKLAAEALISGYAHTFDFRALIIRLANIIGKRSNHGVIYDFINKLKANPNELEILGDGTQRKSYLHISDTIDGIMKLFEHFLNGEERVDFYNLGNEDWITVKEIAEIVSEEMNLNPRFKFTGGVDGGRGWKGDVKLMLLSIEKAKRTGWKPRMNSYEAVRKTVREMLEENI
841
298
6,054
6,987
AF-O73960-F1-model_v4.pdb
MQVIDAEAVHQALDFPSLTAALRDTFAQPAGMPQRQVFPLDDSSHSDAFAVLPAWNQKTIAVKAFTYFPGNPKKSPELESLYSKILIFNRETGEPQALVDGTSVTYWRTAAISALASQYLSRSDAKHLLLFGTGRLATFMALAHASVRQLKTITVWGRSPDKVDKTISAIQAAAPQIEVKACEDLPKAVAAADIISCATGAPAPLFDSAWVAPGTHVDLVGNHNHDRRECDSELVVKAEVYVDAKVNVFAEAGELLIPVSEGVFELSQVKGELADLCRGDIPGRQGEQGITLFKSVGTALADLVGAQLVYEKQA
sabio
A3QH73
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
6.7
0
25
7.6
1.5.1.49
359,303
0.826075
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
0.826075
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]__MQVIDAEAVHQALDFPSLTAALRDTFAQPAGMPQRQVFPLDDSSHSDAFAVLPAWNQKTIAVKAFTYFPGNPKKSPELESLYSKILIFNRETGEPQALVDGTSVTYWRTAAISALASQYLSRSDAKHLLLFGTGRLATFMALAHASVRQLKTITVWGRSPDKVDKTISAIQAAAPQIEVKACEDLPKAVAAADIISCATGAPAPLFDSAWVAPGTHVDLVGNHNHDRRECDSELVVKAEVYVDAKVNVFAEAGELLIPVSEGVFELSQVKGELADLCRGDIPGRQGEQGITLFKSVGTALADLVGAQLVYEKQA
2,537
4,982
2,061
4,920
AF-A3QH73-F1-model_v4.pdb
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
uniprot_search
P00748
CC(C)CSC(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)OCc1ccccc1.O>>
15
99.8105
37
7.4
3.4.21.38
9,606
1.176091
CC(C)CSC(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)OCc1ccccc1.O
null
1.176091
CC(C)CSC(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)OCc1ccccc1.O__MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
1,597
1,184
1,658
1,386
AF-P00748-F1-model_v4.pdb
VVGGDECNINEHRFLVALYY
sabio
P0C578
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O>>CO.Cc1ccc(S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O)cc1
12.6
0
null
8
3.4.21.-
8,769
1.100371
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O
CO.Cc1ccc(S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O)cc1
1.100371
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O__VVGGDECNINEHRFLVALYY
3,791
2,752
2,973
3,092
AF-P0C578-F1-model_v4.pdb
MASTIAVQEIRLDTTSHSLDRSETPSPIGPLYATGSSSPLKASTTWLQLNSAAPIYVKVQNGSTAAEDEPFSGAKKLRHLLENTDELIVCPGVYDGLSARTAMELGFKSLYMTGAGTTASRLGQPDLAIAQLHDMRDNADMIANLDPFGPPLIADMDTGYGGPIMVARTVEHYIRSGVAGAHLEDQILTKRCGHLSGKKVVSRDEYLVRIRAAVATKRRLRSDFVLIARTDALQSLGYEECIERLRAARDEGADVGLLEGFRSKEQAAAAVAALAPWPLLLNSVENGHSPLITVEEAKAMGFRIMIFSFATLAPAYAAIRETLVRLRDHGVVGTPDGITPVRLFEVCGLQDAMEVDNGAGGKAFSEGV
brenda
D5LIR7
O.O=C(O)CC(=O)C(=O)O>>CC(=O)O.O=C(O)C(=O)O
1.9
0
25
7.5
3.7.1.1
5,116
0.278754
O.O=C(O)CC(=O)C(=O)O
CC(=O)O.O=C(O)C(=O)O
1.546543
O.O=C(O)CC(=O)C(=O)O__MASTIAVQEIRLDTTSHSLDRSETPSPIGPLYATGSSSPLKASTTWLQLNSAAPIYVKVQNGSTAAEDEPFSGAKKLRHLLENTDELIVCPGVYDGLSARTAMELGFKSLYMTGAGTTASRLGQPDLAIAQLHDMRDNADMIANLDPFGPPLIADMDTGYGGPIMVARTVEHYIRSGVAGAHLEDQILTKRCGHLSGKKVVSRDEYLVRIRAAVATKRRLRSDFVLIARTDALQSLGYEECIERLRAARDEGADVGLLEGFRSKEQAAAAVAALAPWPLLLNSVENGHSPLITVEEAKAMGFRIMIFSFATLAPAYAAIRETLVRLRDHGVVGTPDGITPVRLFEVCGLQDAMEVDNGAGGKAFSEGV
1,794
3,710
5,094
5,955
AF-D5LIR7-F1-model_v4.pdb
MEVMTSTHTNGSALLKSSAITTNGYHNGNSNHRKGVTAHDNGRKLLEGSSNSLEPGWFSEFSPLWPGEAFSLKIEKLLFQGKSDYQDVMLFESATYGKVLTLDGAIQHTENGGFPYTEMIVHLPLGSIPSPKKVLIIGGGIGFTLFEVLRYPTIENIDIVEIDDVVVDVSRKFFPYLAANFNDPRVTMVLGDGAAFVKAAKAGYYDAIIVDSSDPIGPAKDLFERPFFEAVAKALRPGGVVCTQAESIWLHMHIIKQIIANCRQVFKGSVNYAWTTVPTYPTGVIGYMLCSTEGPEVDFKNPVNPIDKATAHIKSELGPLKFYNSDIHKAAFILPSFAASLIES
brenda
Q2KTH0
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN>>CNCCCCN.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
0.198
0.103363
null
null
2.1.1.53
362,597
-0.703335
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN
CNCCCCN.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
-0.703335
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN__MEVMTSTHTNGSALLKSSAITTNGYHNGNSNHRKGVTAHDNGRKLLEGSSNSLEPGWFSEFSPLWPGEAFSLKIEKLLFQGKSDYQDVMLFESATYGKVLTLDGAIQHTENGGFPYTEMIVHLPLGSIPSPKKVLIIGGGIGFTLFEVLRYPTIENIDIVEIDDVVVDVSRKFFPYLAANFNDPRVTMVLGDGAAFVKAAKAGYYDAIIVDSSDPIGPAKDLFERPFFEAVAKALRPGGVVCTQAESIWLHMHIIKQIIANCRQVFKGSVNYAWTTVPTYPTGVIGYMLCSTEGPEVDFKNPVNPIDKATAHIKSELGPLKFYNSDIHKAAFILPSFAASLIES
3,870
3,987
1,831
3,654
AF-Q2KTH0-F1-model_v4.pdb
MTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPPAYGRDAVEQTLAGLFTVMSIDAVETFHIGSSNGLVYTERVDVLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG
brenda
Q9ZAG3
O.c1ccc(C2CO2)cc1>>OCC(O)c1ccccc1
0.47
0
33.5
7.4
3.3.2.8
1,833
-0.327902
O.c1ccc(C2CO2)cc1
OCC(O)c1ccccc1
-0.327902
O.c1ccc(C2CO2)cc1__MTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPPAYGRDAVEQTLAGLFTVMSIDAVETFHIGSSNGLVYTERVDVLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG
540
3,234
5,538
6,422
AF-Q9ZAG3-F1-model_v4.pdb
MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRRANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
uniprot_search
P08709
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CCC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1
1.95
0
30
8
3.4.21.21
9,606
0.290035
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O
CCC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1
1.645422
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O__MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRRANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
1,839
4,438
42
44
AF-P08709-F1-model_v4.pdb
MIINNVKLVLENEVVSGSLEVQNGEIRAFAESQSRLPEAMDGEGGWLLPGLIELHTDNLDKFFTPRPKVDWPAHSAMSSHDALMVASGITTVLDAVAIGDVRDGGDRLENLEKMINAIEETQKRGVNRAEHRLHLRCELPHHTTLPLFEKLVQREPVTLVSLMDHSPGQRQFANREKYREYYQGKYSLTDAQMQQYEEEQLALAARWSQPNRESIAALCRARKIALASHDDATHAHVAESHQLGSVIAEFPTTFEAAEASRKHGMNVLMGAPNIVRGGSHSGNVAASELAQLGLLDILSSDYYPASLLDAAFRVADDQSNRFTLPQAVKLVTKNPAQALNLQDRGVIGEGKRADLVLAHRKDNHIHIDHVWRQGKRVF
sabio
P16689
C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O>>O=P(O)(O)OCC1OC(O)C(O)C1O.O=P(O)(O)OP(=O)(O)O
6
0.49586
30
8.5
3.6.1.63
562
0.778151
C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O
O=P(O)(O)OCC1OC(O)C(O)C1O.O=P(O)(O)OP(=O)(O)O
0.778151
C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O__MIINNVKLVLENEVVSGSLEVQNGEIRAFAESQSRLPEAMDGEGGWLLPGLIELHTDNLDKFFTPRPKVDWPAHSAMSSHDALMVASGITTVLDAVAIGDVRDGGDRLENLEKMINAIEETQKRGVNRAEHRLHLRCELPHHTTLPLFEKLVQREPVTLVSLMDHSPGQRQFANREKYREYYQGKYSLTDAQMQQYEEEQLALAARWSQPNRESIAALCRARKIALASHDDATHAHVAESHQLGSVIAEFPTTFEAAEASRKHGMNVLMGAPNIVRGGSHSGNVAASELAQLGLLDILSSDYYPASLLDAAFRVADDQSNRFTLPQAVKLVTKNPAQALNLQDRGVIGEGKRADLVLAHRKDNHIHIDHVWRQGKRVF
1,019
561
222
240
AF-P16689-F1-model_v4.pdb
MIWRRAALAGTRLVWSRSGSAGWLDRAAGAAGAAAAAASGMESNTSSSLENLATAPVNQIQETISDNCVVIFSKTSCSYCTMAKKLFHDMNVNYKVVELDLLEYGNQFQDALYKMTGERTVPRIFVNGTFIGGATDTHRLHKEGKLLPLVHQCYLKKSKRKEFQ
sabio
Q9NS18
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.OCCSSCCO>>NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.OCCS
71.3
19.871679
null
8
1.8.4.2
9,606
1.85309
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.OCCSSCCO
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.OCCS
1.85309
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.OCCSSCCO__MIWRRAALAGTRLVWSRSGSAGWLDRAAGAAGAAAAAASGMESNTSSSLENLATAPVNQIQETISDNCVVIFSKTSCSYCTMAKKLFHDMNVNYKVVELDLLEYGNQFQDALYKMTGERTVPRIFVNGTFIGGATDTHRLHKEGKLLPLVHQCYLKKSKRKEFQ
2,556
5,007
2,098
4,962
AF-Q9NS18-F1-model_v4.pdb
MATNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGEAFVQSLSEREQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRYGFDAVSAVTPFYYPFSFEEHCDHYRAIIDSADGLPMVVYNIPALSGVKLTLDQINTLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDEIFASGLLAGADGGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIKTGVFRGLKTVLHYMDVVSVPLCRKPFGPVDEKYLPELKALAQQLMQERG
sabio
P0A6L4
>>CC(=O)C(=O)O.CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO
0.0002
99.677701
25
7.5
4.1.3.3
562
-3.69897
null
CC(=O)C(=O)O.CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO
0.041393
__MATNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGEAFVQSLSEREQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRYGFDAVSAVTPFYYPFSFEEHCDHYRAIIDSADGLPMVVYNIPALSGVKLTLDQINTLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDEIFASGLLAGADGGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIKTGVFRGLKTVLHYMDVVSVPLCRKPFGPVDEKYLPELKALAQQLMQERG
883
378
11
14
AF-P0A6L4-F1-model_v4.pdb
MFPKGFKFGFSEAGFQFEMGISDPDPNTDWYVWTHDKYNIQNHVVSGDLPENGAGYWDLYHRDHDFAQHLGMNAARIGIEWSRIFPKSTEEVKVSVQNDRGDVLNVDITDRDLDKLDKIANKDAVNHYRSIFSDFKNRGNYLIINLYHWSTPVWINDPSKRDIEKDNAVGNCFTTRSIVEFAKFAAYVARAFDDLADRWSTMNEPNILFNGQCSNDWRPDSMAIRKKLFAEAHARAYDSIKKFSEKPVGIVYANGDMQPLTDEDREARDLAEYEIRYSFFDAITKGDLSWYANAAQNRSLDYSSDKREDMANHLDWVGVNYYSRDVVKKDGDRWAIVPGYGYATGENKRSLDGRSSSDTGWEVYPEGIYHLVMSYQKHIGLPMMISENGVADDSDRLRPRYVASHLKNLESAIRDGAKVEGYLHWALTDNYEWASGFSKKFGLLKVDFKTKKRYIRPGALVFKEIVENNGVDEDLEWLAADKF
brenda
Q9HIL6
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
141
0
90
6
3.2.1.21
2,303
2.149219
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
2.149219
O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1__MFPKGFKFGFSEAGFQFEMGISDPDPNTDWYVWTHDKYNIQNHVVSGDLPENGAGYWDLYHRDHDFAQHLGMNAARIGIEWSRIFPKSTEEVKVSVQNDRGDVLNVDITDRDLDKLDKIANKDAVNHYRSIFSDFKNRGNYLIINLYHWSTPVWINDPSKRDIEKDNAVGNCFTTRSIVEFAKFAAYVARAFDDLADRWSTMNEPNILFNGQCSNDWRPDSMAIRKKLFAEAHARAYDSIKKFSEKPVGIVYANGDMQPLTDEDREARDLAEYEIRYSFFDAITKGDLSWYANAAQNRSLDYSSDKREDMANHLDWVGVNYYSRDVVKKDGDRWAIVPGYGYATGENKRSLDGRSSSDTGWEVYPEGIYHLVMSYQKHIGLPMMISENGVADDSDRLRPRYVASHLKNLESAIRDGAKVEGYLHWALTDNYEWASGFSKKFGLLKVDFKTKKRYIRPGALVFKEIVENNGVDEDLEWLAADKF
193
3,922
1,761
3,568
AF-Q9HIL6-F1-model_v4.pdb
MSNLPPHEIHAKTGINQFDVFIAGSGPIGATYARLLTRHGYNVIMTEIGDQETRVPASHKKNEIEYQKDIDRFVRVIQGALSTVSVPPASTVIPQLDPSAWRPEDPSQMTLLNGRNPNQQTYDNLPAESVTRCVGGMSTHWTCATPEFFKENGERPKIFPGDETLDDDEWKLLYEAARNLIGVSSTEFDQSIRHNTVLHTLQKAFPNRGIKPLPLACHRLAKGSPYVRWHAADNVYYDLFDQSLFGKVNSEGIARGKFFLLTNTRCTKLHTSNPNATKDVNVGVAEVMDLLADRFTGSDQHKQVSFAINAKVYVVAAGAVATPQILANSDFGGLEGQQGKALLPALGVGITEQPLAFCQIILNQHIVDDLKNLNGRPQWWKDAVEAHRRAHPKDPLWIPFQDPEPQVNIPVTKDFPWHAQIHRDAFSYGEAGPRADSRVVVDLRFFARQAREPKNKLTFDKKITDVYGMPQPTFKYLPTTQYADEAGKMMKDMTEVASALGGYLPGSEPQFMAPGLALHLGGTVRLGHGSEINESVANFNSQVWNFKNLYVAGNGTIPTAFAANPTLTSIALALRATHHIVKVLKADPNNLKPAVPEEKLEATPKEYLKWLTDPTNPDFPDHHDLQKEHKEVIVKAEPSHT
uniprot_search
A0A0P0HFV3
O=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>OO
27.9
83.13548
25
6.5
1.1.3.10
5,319
1.445604
O=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
OO
1.445604
O=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O__MSNLPPHEIHAKTGINQFDVFIAGSGPIGATYARLLTRHGYNVIMTEIGDQETRVPASHKKNEIEYQKDIDRFVRVIQGALSTVSVPPASTVIPQLDPSAWRPEDPSQMTLLNGRNPNQQTYDNLPAESVTRCVGGMSTHWTCATPEFFKENGERPKIFPGDETLDDDEWKLLYEAARNLIGVSSTEFDQSIRHNTVLHTLQKAFPNRGIKPLPLACHRLAKGSPYVRWHAADNVYYDLFDQSLFGKVNSEGIARGKFFLLTNTRCTKLHTSNPNATKDVNVGVAEVMDLLADRFTGSDQHKQVSFAINAKVYVVAAGAVATPQILANSDFGGLEGQQGKALLPALGVGITEQPLAFCQIILNQHIVDDLKNLNGRPQWWKDAVEAHRRAHPKDPLWIPFQDPEPQVNIPVTKDFPWHAQIHRDAFSYGEAGPRADSRVVVDLRFFARQAREPKNKLTFDKKITDVYGMPQPTFKYLPTTQYADEAGKMMKDMTEVASALGGYLPGSEPQFMAPGLALHLGGTVRLGHGSEINESVANFNSQVWNFKNLYVAGNGTIPTAFAANPTLTSIALALRATHHIVKVLKADPNNLKPAVPEEKLEATPKEYLKWLTDPTNPDFPDHHDLQKEHKEVIVKAEPSHT
567
3,285
5,595
6,481
AF-A0A0P0HFV3-F1-model_v4.pdb
MANVIKARPKLYVMDNGRMRMDKNWMIAMHNPATIHNPNAQTEFVEFPIYTVLIDHPEGKILFDTSCNPNSMGPQGRWAESTQQMFPWTATEECYLHNRLEQLKVRPEDIRYVVASHLHLDHAGCLEMFTNATIIVHEDEFNGALQCYARNQKEGAYIWADIDAWIKNNLQWRTVKRHEDNILLAEGVKVLNFGSGHAWGMLGLHVELPETGGIILASDAIYTAESYGPPIKPPGIIYDSLGYMNTVERIRRIAQETKSQVWFGHDAEQFKKFRKSTEGYYE
brenda
A0A023DFE8
CCCC(O)=N[C@H]1CCOC1=O.O>>CCCC(O)=N[C@@H](CCO)C(=O)O
19.06
0
25
8.3
3.1.1.81
81,408
1.280123
CCCC(O)=N[C@H]1CCOC1=O.O
CCCC(O)=N[C@@H](CCO)C(=O)O
1.280123
CCCC(O)=N[C@H]1CCOC1=O.O__MANVIKARPKLYVMDNGRMRMDKNWMIAMHNPATIHNPNAQTEFVEFPIYTVLIDHPEGKILFDTSCNPNSMGPQGRWAESTQQMFPWTATEECYLHNRLEQLKVRPEDIRYVVASHLHLDHAGCLEMFTNATIIVHEDEFNGALQCYARNQKEGAYIWADIDAWIKNNLQWRTVKRHEDNILLAEGVKVLNFGSGHAWGMLGLHVELPETGGIILASDAIYTAESYGPPIKPPGIIYDSLGYMNTVERIRRIAQETKSQVWFGHDAEQFKKFRKSTEGYYE
3,255
2,082
3,740
2,594
AF-A0A023DFE8-F1-model_v4.pdb
MKLEKFVDRLPIPQVLQPQSKSKEMTYYEVTMKEFQQQLHRDLPPTRLFGYNGVYPGPTFEVQKHEKVAVKWLNKLPDRHFLPVDHTLHDDGHHEHEVKTVVHLHGGCTPADSDGYPEAWYTKDFHAKGPFFEREVYEYPNEQDATALWYHDHAMAITRLNVYAGLVGLYFIRDREERSLNLPKGEYEIPLLIQDKSFHEDGSLFYPRQPDNPSPDLPDPSIVPAFCGDTILVNGKVWPFAELEPRKYRFRILNASNTRIFELYFDHDITCHQIGTDGGLLQHPVKVNELVIAPAERCDIIVDFSRAEGKTVTLKNRIGCGGQDADPDTDADIMQFRISKPLKQKDTSSLPRILRKRPFYRRHKINALRNLSLGAAVDQYGRPVLLLNNTKWHEPVTETPALGSTEIWSIINAGRAIHPIHLHLVQFMILDHRPFDIERYQENGELVFTGPAVPPAPNEKGLKDTVKVPPGSVTRIIATFAPYSGRYVWHCHILEHEDYDMMRPLEVTDVRHQ
sabio
H8WGE4
COc1cccc(OC)c1O.O=O>>O
1.4
81.952256
30
6.6
1.10.3.2
1,402
0.146128
COc1cccc(OC)c1O.O=O
O
0.146128
COc1cccc(OC)c1O.O=O__MKLEKFVDRLPIPQVLQPQSKSKEMTYYEVTMKEFQQQLHRDLPPTRLFGYNGVYPGPTFEVQKHEKVAVKWLNKLPDRHFLPVDHTLHDDGHHEHEVKTVVHLHGGCTPADSDGYPEAWYTKDFHAKGPFFEREVYEYPNEQDATALWYHDHAMAITRLNVYAGLVGLYFIRDREERSLNLPKGEYEIPLLIQDKSFHEDGSLFYPRQPDNPSPDLPDPSIVPAFCGDTILVNGKVWPFAELEPRKYRFRILNASNTRIFELYFDHDITCHQIGTDGGLLQHPVKVNELVIAPAERCDIIVDFSRAEGKTVTLKNRIGCGGQDADPDTDADIMQFRISKPLKQKDTSSLPRILRKRPFYRRHKINALRNLSLGAAVDQYGRPVLLLNNTKWHEPVTETPALGSTEIWSIINAGRAIHPIHLHLVQFMILDHRPFDIERYQENGELVFTGPAVPPAPNEKGLKDTVKVPPGSVTRIIATFAPYSGRYVWHCHILEHEDYDMMRPLEVTDVRHQ
3,403
2,293
3,993
2,884
AF-H8WGE4-F1-model_v4.pdb
MKTLSQAQSKTSSQQFSFTGNSSANVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESGEPIYGVTSGFGGMANVAISREQASELQTNLVWFLKTGAGNKLPLADVRAAMLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIGASGDLVPLSYITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTSVMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPGQLWAADQMISLLANSQLVRDELDGKHDYRDHELIQDRYSLRCLPQYLGPIVDGISQIAKQIEIEINSVTDNPLIDVDNQASYHGGNFLGQYVGMGMDHLRYYIGLLAKHLDVQIALLASPEFSNGLPPSLLGNRERKVNMGLKGLQICGNSIMPLLTFYGNSIADRFPTHAEQFNQNINSQGYTSATLARRSVDIFQNYVAIALMFGVQAVDLRTYKKTGHYDARACLSPATERLYSAVRHVVGQKPTSDRPYIWNDNEQGLDEHIARISADIAAGGVIVQAVQDILPCLH
brenda
Q3M5Z3
N[C@@H](Cc1cccc(F)c1)C(=O)O>>N.O=C(O)/C=C/c1cccc(F)c1
1.1
0
30
8.3
4.3.1.24
264,691
0.041393
N[C@@H](Cc1cccc(F)c1)C(=O)O
N.O=C(O)/C=C/c1cccc(F)c1
0.041393
N[C@@H](Cc1cccc(F)c1)C(=O)O__MKTLSQAQSKTSSQQFSFTGNSSANVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESGEPIYGVTSGFGGMANVAISREQASELQTNLVWFLKTGAGNKLPLADVRAAMLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIGASGDLVPLSYITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTSVMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPGQLWAADQMISLLANSQLVRDELDGKHDYRDHELIQDRYSLRCLPQYLGPIVDGISQIAKQIEIEINSVTDNPLIDVDNQASYHGGNFLGQYVGMGMDHLRYYIGLLAKHLDVQIALLASPEFSNGLPPSLLGNRERKVNMGLKGLQICGNSIMPLLTFYGNSIADRFPTHAEQFNQNINSQGYTSATLARRSVDIFQNYVAIALMFGVQAVDLRTYKKTGHYDARACLSPATERLYSAVRHVVGQKPTSDRPYIWNDNEQGLDEHIARISADIAAGGVIVQAVQDILPCLH
2,167
4,384
4,275
4,147
AF-Q3M5Z3-F1-model_v4.pdb
AEVCYSHLGCFSDEKPWAGTSQRPIKSLPSDPKKINTRFLLYTNENQNSYQLITATDIATIKASNFNLNRKTRFIIHGFTDSGENSWLSDMCKNMFQVEKVNCICVDWKGGSKAQYSQASQNIRVVGAEVAYLVQVLSTSLNYAPENVHIIGHSLGAHTAGEAGKRLNGLVGRITGLDPAEPYFQDTPEEVRLDPSDAKFVDVIHTDISPILPSLGFGMSQKVGHMDFFPNGGKDMPGCKTGISCNHHRSIEYYHSSILNPEGFLGYPCASYDEFQESGCFPCPAKGCPKMGHFADQYPGKTNAVEQTFFLNTGASDNFTRWRYKVTVTLSGEKDPSGNINVALLGKNGNSAQYQVFKGTLKPDASYTNSIDVELNVGTIQKVTFLWKRSGISVSKPKMGASRITVQSGKDGTKYNFCSSDIVQENVEQTLSPC
sabio
P81139
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
50
0
25
7.5
3.1.1.1
10,141
1.69897
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O
CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1
1.69897
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O__AEVCYSHLGCFSDEKPWAGTSQRPIKSLPSDPKKINTRFLLYTNENQNSYQLITATDIATIKASNFNLNRKTRFIIHGFTDSGENSWLSDMCKNMFQVEKVNCICVDWKGGSKAQYSQASQNIRVVGAEVAYLVQVLSTSLNYAPENVHIIGHSLGAHTAGEAGKRLNGLVGRITGLDPAEPYFQDTPEEVRLDPSDAKFVDVIHTDISPILPSLGFGMSQKVGHMDFFPNGGKDMPGCKTGISCNHHRSIEYYHSSILNPEGFLGYPCASYDEFQESGCFPCPAKGCPKMGHFADQYPGKTNAVEQTFFLNTGASDNFTRWRYKVTVTLSGEKDPSGNINVALLGKNGNSAQYQVFKGTLKPDASYTNSIDVELNVGTIQKVTFLWKRSGISVSKPKMGASRITVQSGKDGTKYNFCSSDIVQENVEQTLSPC
1,212
3,017
546
624
AF-P81139-F1-model_v4.pdb
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
brenda
Q04828
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]1CCc2ccccc21>>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
0.167
8.194976
30
7.416667
1.3.1.20
9,606
-0.777284
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]1CCc2ccccc21
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
-0.379864
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]1CCc2ccccc21__MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
1,329
1,150
197
213
AF-Q04828-F1-model_v4.pdb
MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQIFGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCEEGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCLSCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGLSCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEGRGERTAFIKDQSAL
uniprot_search
P09958
CC(C)C[C@H](N=C(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](Cc1cnc[nH]1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O.O>>CC(C)C[C@H](N=C(O)[C@H](C)N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O.N=C(N)NCCC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(=O)O
7.1
0
37
7
3.4.21.75
9,606
0.851258
CC(C)C[C@H](N=C(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](Cc1cnc[nH]1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O.O
CC(C)C[C@H](N=C(O)[C@H](C)N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O.N=C(N)NCCC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(=O)O
0.851258
CC(C)C[C@H](N=C(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](Cc1cnc[nH]1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O.O__MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQIFGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCEEGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCLSCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGLSCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEGRGERTAFIKDQSAL
1,933
1,563
3,148
1,919
AF-P09958-F1-model_v4.pdb
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
brenda
P29466
CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(C)C.O>>CC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1)C(C)C)C(=O)O.NCCNc1cccc2c(S(=O)(=O)O)cccc12
0.41
0
33.5
7.633333
3.4.22.36
9,606
-0.387216
CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(C)C.O
CC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1)C(C)C)C(=O)O.NCCNc1cccc2c(S(=O)(=O)O)cccc12
-0.387216
CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(C)C.O__MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
2,926
1,650
3,255
2,046
AF-P29466-F1-model_v4.pdb
MNSRLCLLSVCFFLLVAASSLLHAKLLVQDDDSSPALNLDIIRHVRRKRTTWEAGINKRFVGKTIADVKKLLGLKGLKPTIRYSEDEMALVNQYYAAKQGQPSALPDSFDARQQWPICIHPIRNQQQCGSCWAFSASEVLSDRFCIATLNQPKKVNVVLSPQDLVSCNWYNNGCDGGILWLAWMYLEHTGIVPDSCMPYVSGNGVAPSCPKYCNGTNIDINTQKYKAKTWYEVGSIAGFFIKEEKIMNELITNGPVQTGFSVYQDFMSYKSGVYTHETGSFLGGHAVKIVGYGVENGVKYWLVANSWSADWGLDGYFKIKRGVNECGIEGDVYTGIPNTDTIPNL
brenda
X5D761
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O>>CC(C)C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
0.327
0
37
4.5
3.4.22.1
5,763
-0.485452
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O
CC(C)C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
-0.485452
Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O__MNSRLCLLSVCFFLLVAASSLLHAKLLVQDDDSSPALNLDIIRHVRRKRTTWEAGINKRFVGKTIADVKKLLGLKGLKPTIRYSEDEMALVNQYYAAKQGQPSALPDSFDARQQWPICIHPIRNQQQCGSCWAFSASEVLSDRFCIATLNQPKKVNVVLSPQDLVSCNWYNNGCDGGILWLAWMYLEHTGIVPDSCMPYVSGNGVAPSCPKYCNGTNIDINTQKYKAKTWYEVGSIAGFFIKEEKIMNELITNGPVQTGFSVYQDFMSYKSGVYTHETGSFLGGHAVKIVGYGVENGVKYWLVANSWSADWGLDGYFKIKRGVNECGIEGDVYTGIPNTDTIPNL
1,934
4,079
1,934
3,768
AF-X5D761-F1-model_v4.pdb
MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK
brenda
A0A060PQX5
CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O.CCC(C)C(=O)C(=O)O
270
0
90
8
2.6.1.42
35,749
2.431364
CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O
CC(C)[C@H](N)C(=O)O.CCC(C)C(=O)C(=O)O
2.431364
CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O__MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK
1,805
1,461
3,027
1,775
AF-A0A060PQX5-F1-model_v4.pdb
MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL
brenda
Q62087
CC(=O)Oc1ccc2ccccc2c1.O>>CC(=O)O.Oc1ccc2ccccc2c1
2.12
0
37
7.3
3.1.1.2
10,090
0.326336
CC(=O)Oc1ccc2ccccc2c1.O
CC(=O)O.Oc1ccc2ccccc2c1
0.326336
CC(=O)Oc1ccc2ccccc2c1.O__MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL
1,506
1,056
882
1,216
AF-Q62087-F1-model_v4.pdb
MNPFHDLEPGPDVPEVVYAIIEIPKGSRNKYELDKKTGLLKLDRVLYSPFFYPVDYGIIPRTWYEDDDPFDIMVIMREPVYPLTIIEARPIGLFKMIDSGDKDYKVLAVPVEDPYFKDWKDIDDVPKAFLDEIAHFFKRYKELQGKEIIVEGWEGAEAAKREILRAIEMYKEKFGKKE
brenda
Q8U438
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O>>
39.9
99.783651
95
9.5
3.6.1.1
2,261
1.600973
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O
null
1.600973
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O__MNPFHDLEPGPDVPEVVYAIIEIPKGSRNKYELDKKTGLLKLDRVLYSPFFYPVDYGIIPRTWYEDDDPFDIMVIMREPVYPLTIIEARPIGLFKMIDSGDKDYKVLAVPVEDPYFKDWKDIDDVPKAFLDEIAHFFKRYKELQGKEIIVEGWEGAEAAKREILRAIEMYKEKFGKKE
350
2,917
5,250
4,739
AF-Q8U438-F1-model_v4.pdb
MDPIQLLFYVNGQKVVEKNVDPEMMLLPYLRKNLRLTGTKYGCGGGGCGACTVMISRYNPSTKAIRHHPVNACLTPICSLHGTAVTTVEGLGNTRTRLHPIQERIAKCHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLTDALGGNLCRCTGYRPIIDACKTFCKASACCQSKENGVCCLDQEINGLAESQEEDKTSPELFSEEEFLPLDPTQELIFPPELMRIAEKQPPKTRVFYGERVTWISPVTLKELVEAKFKYPQAPIVMGYTSVGPEVKFKGVFHPIIISPDRIEELGVISQARDGLTLGAGLSLDQVKDILADIVQKLPEEKTQTYRALLKHLRTLAGSQIRNMASLGGHIVSRHLDSDLNPLLAVGNCTLNLLSKDGERRIPLSEEFLRKCPEADLKPQEVLVSVNIPWSRKWEFVSAFRQAQRQQNALAIVNSGMRVLFREGGGVIEELSILYGGVGSTIISAKNSCQRLIGRPWNEGMLDTRCRLVLDEVTLAASAPGGKVEFKRTLIISFLFKFYLEVSQGLKREDPGHSPSLAGNHESALDDLHSKHPWRTLTHQNVDPAQLPQDPIGRPIMHLSGIKHATGEAIYCDDMPAVDRELFLTFVTSSRAHAKIVSIDLSEALSLPGVVDIITADHLQEANTFGTETFLATDEVHCVGHLVCAVIADSETRAKQAAKQVKVVYQDLAPLILTIEEAIQHKSFFKSERKLECGNVDEAFKIVDQILEGEIHIGGQEHFYMETQSMLVVPKGEDGEIDIYVSTQFPKYIQDIVAATLKLSANKVMCHVRRVGGAFGGKVGKTSILAAITAFAASKHGRAVRCILERGEDMLITGGRHPYLGKYKAGFMNEGRILALDVEHYCNGGCSLDESLWVIEMGLLKLDNAYKFPNLRCRGWACRTNLPSNTALRGFGFPQAGLVTEACITEVAIKCGLSPEQVRTINMYKHVDTTHYKQEFSAKALSECWRECMAKCSYFERKAAIGKFNAENSWKKRGMAVIPLKFPVGIGSVAMGQAAALVHIYLDGSALVSHGGIEMGQGVHTKMIQVVSRELRMPMSSVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIISKNPQGTWKDWAQTAFDQSISLSAVGYFRGYESNIDWEKGEGHPFEYFVFGAACSEVEINCLTGDHKNIRTNIVMDVGHSINPALDIGQVEGAFIQGMGLYTIEELSYSPQGTLYSRGPNQYKIPAICDIPTEMHISFLPPSEHSNTLYSSKGLGESGVFLGCSVFFAIHDAVKAARQERGISGPWKLNSPLTPEKIRMACEDKFTKMIPRDEPGSYVPCNIPV
brenda
O54754
O.O=Cc1ccc(O)cc1.O=O>>O=C(O)c1ccc(O)cc1.OO
4.31
0
37
8
1.2.3.1
10,090
0.634477
O.O=Cc1ccc(O)cc1.O=O
O=C(O)c1ccc(O)cc1.OO
0.634477
O.O=Cc1ccc(O)cc1.O=O__MDPIQLLFYVNGQKVVEKNVDPEMMLLPYLRKNLRLTGTKYGCGGGGCGACTVMISRYNPSTKAIRHHPVNACLTPICSLHGTAVTTVEGLGNTRTRLHPIQERIAKCHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLTDALGGNLCRCTGYRPIIDACKTFCKASACCQSKENGVCCLDQEINGLAESQEEDKTSPELFSEEEFLPLDPTQELIFPPELMRIAEKQPPKTRVFYGERVTWISPVTLKELVEAKFKYPQAPIVMGYTSVGPEVKFKGVFHPIIISPDRIEELGVISQARDGLTLGAGLSLDQVKDILADIVQKLPEEKTQTYRALLKHLRTLAGSQIRNMASLGGHIVSRHLDSDLNPLLAVGNCTLNLLSKDGERRIPLSEEFLRKCPEADLKPQEVLVSVNIPWSRKWEFVSAFRQAQRQQNALAIVNSGMRVLFREGGGVIEELSILYGGVGSTIISAKNSCQRLIGRPWNEGMLDTRCRLVLDEVTLAASAPGGKVEFKRTLIISFLFKFYLEVSQGLKREDPGHSPSLAGNHESALDDLHSKHPWRTLTHQNVDPAQLPQDPIGRPIMHLSGIKHATGEAIYCDDMPAVDRELFLTFVTSSRAHAKIVSIDLSEALSLPGVVDIITADHLQEANTFGTETFLATDEVHCVGHLVCAVIADSETRAKQAAKQVKVVYQDLAPLILTIEEAIQHKSFFKSERKLECGNVDEAFKIVDQILEGEIHIGGQEHFYMETQSMLVVPKGEDGEIDIYVSTQFPKYIQDIVAATLKLSANKVMCHVRRVGGAFGGKVGKTSILAAITAFAASKHGRAVRCILERGEDMLITGGRHPYLGKYKAGFMNEGRILALDVEHYCNGGCSLDESLWVIEMGLLKLDNAYKFPNLRCRGWACRTNLPSNTALRGFGFPQAGLVTEACITEVAIKCGLSPEQVRTINMYKHVDTTHYKQEFSAKALSECWRECMAKCSYFERKAAIGKFNAENSWKKRGMAVIPLKFPVGIGSVAMGQAAALVHIYLDGSALVSHGGIEMGQGVHTKMIQVVSRELRMPMSSVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIISKNPQGTWKDWAQTAFDQSISLSAVGYFRGYESNIDWEKGEGHPFEYFVFGAACSEVEINCLTGDHKNIRTNIVMDVGHSINPALDIGQVEGAFIQGMGLYTIEELSYSPQGTLYSRGPNQYKIPAICDIPTEMHISFLPPSEHSNTLYSSKGLGESGVFLGCSVFFAIHDAVKAARQERGISGPWKLNSPLTPEKIRMACEDKFTKMIPRDEPGSYVPCNIPV
1,051
609
276
303
AF-O54754-F1-model_v4.pdb
MIRMTLDEVRELAVRILRRHAFSEAHVQAVADTLVAGERDECASHGIWRLLGCIATLKAGKVSADAEPELHDIAPGLLRVDAHGGFSQCAFRLGLPHLLEKARSQGIAAMAVNRCVHFSALWVEVEALTEAGLVALATTPSHAWVAPAGGRKPIFGTNPIAFGWPRPDGPPFVFDFATSAVARGEIQLHERAGKPIPLGWGVDEQGEPTTDASAALRGAMLTFGGHKGSALAAMVELLAGPLIGDLTSAESLAYDEGSRSSPYGGELLIAIDPRRMLGASAEEHLARAETLFEGIVEQGARLPSQRRFEARERSARDGVTIPEALHRELLALLE
brenda
Q9I492
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=C(O)C1=NCCC1.[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.O=C(O)[C@@H]1CCCN1
41.67
0
30
7
1.5.1.21
287
1.619824
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=C(O)C1=NCCC1.[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.O=C(O)[C@@H]1CCCN1
1.619824
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=C(O)C1=NCCC1.[H+]__MIRMTLDEVRELAVRILRRHAFSEAHVQAVADTLVAGERDECASHGIWRLLGCIATLKAGKVSADAEPELHDIAPGLLRVDAHGGFSQCAFRLGLPHLLEKARSQGIAAMAVNRCVHFSALWVEVEALTEAGLVALATTPSHAWVAPAGGRKPIFGTNPIAFGWPRPDGPPFVFDFATSAVARGEIQLHERAGKPIPLGWGVDEQGEPTTDASAALRGAMLTFGGHKGSALAAMVELLAGPLIGDLTSAESLAYDEGSRSSPYGGELLIAIDPRRMLGASAEEHLARAETLFEGIVEQGARLPSQRRFEARERSARDGVTIPEALHRELLALLE
2,567
5,024
4,490
4,389
AF-Q9I492-F1-model_v4.pdb
MSQGRKAAERLAKKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQASPHHIFRG
brenda
Q05016
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.N[C@@H](CO)C(=O)O>>
11
99.882423
30
9
1.1.1.381
4,932
1.041393
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.N[C@@H](CO)C(=O)O
null
1.041393
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.N[C@@H](CO)C(=O)O__MSQGRKAAERLAKKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQASPHHIFRG
3,104
1,869
3,501
2,319
AF-Q05016-F1-model_v4.pdb
MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPRATDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
uniprot_search
P16083
CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.OC(=N[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C1=CNC=CC1>>N=C(O)C1C=[N+]([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=CC1
3.83
33.030485
31
8
1.10.5.1
9,606
0.583199
CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.OC(=N[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C1=CNC=CC1
N=C(O)C1C=[N+]([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=CC1
0.583199
CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.OC(=N[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C1=CNC=CC1__MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPRATDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
3,169
1,963
3,607
2,441
AF-P16083-F1-model_v4.pdb