Structure of PDB 8b7s Chain A Binding Site BS01

Receptor Information
>8b7s Chain A (length=458) Species: 1961849 (Novosphingobium sp. B 225) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSKQFDYIIIGGGSAGAVVANRLSEDSGTSVLLLEAGGSDASPKFNWMYD
VEPDPSRDGRVDIWPAGKVLGGGSMFVRGNAWDYDLWAQKGATGWDYAGV
LPYFRKMESYALNELTDLWVKSAEKIGIRRNDDLNGASQEGVGYCDASQK
DGWRHSTAQAYIRGIKGKRANFTLELKAFVERIIIEGGRAVGVRYSKNGR
GMEVRARKGVVLSAGAIASPKLLLLSGIGPAEELAQHEIPMVVDSPDVGA
NLQEHPAVIMSFHVNKPLTTGIGHAQALVKTDDRYAAPNVQLIISPFKPS
VGLAVGLARPESRGTVRLKSADPKDKPLINYPLLGEQSEVDQMVAGCRIL
RKIAHAEPFRDVLVDERLPGAEVESDAELERYIRQFAFPMYHVSCSCRMG
SDPASVVDPELRVRGVSGLWVVDASVMPTLPAGNINASAIMIGERGADLI
KQQAKTPE
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain8b7s Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8b7s Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G12 G14 S15 A16 E36 A37 W63 P81 G83 V221 A255 G256 A259 T336 Y470 A503 I514 N515
Binding residue
(residue number reindexed from 1)		G11 G13 S14 A15 E35 A36 W47 P65 G67 V180 A214 G215 A218 T270 Y391 A424 I435 N436
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 08:24:36 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '8b7s', asym_id = 'A', bs = 'BS01', title = 'Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8b7s', asym_id='A', bs='BS01', title='Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0016614,0050660', uniprot = '', pdbid = '8b7s', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016614,0050660', uniprot='', pdbid='8b7s', asym_id='A')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>