Structure of PDB 8fhj Chain C Binding Site BS01

Receptor Information
>8fhj Chain C (length=532) Species: 743836 (Methylocystis sp. SB2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVERVPVLIVGAGYAGLSAATLLAWRGVPCRLVERRASTSRLPKAHGINR
RSMEVLRVVPGLEDALFAASRAGANESTLIIAESVTSPPIETLVTKISLD
ATPVSPSRICTAGQDRVEPVLLRFARENGADVRFSTTLERFSQRDDGVDA
ILRDEASGQETTVLADYMIAADGAGGTIRDVGGVKMEGPGVLADTISVLF
EADLDSILPGGGFALYYLRNPAFSGAFVTCDEPNHGQINIEYDSTRDQAS
DFDEERCEALVRQSLGVADLAVKILDIRPWQMAALLADRMSFGRVFLAGD
CAHITPPVGGLGGQTAIQDAADLAWKLALVVKGQAAPTLLDSYEIERRPV
ARIAIARSIANYVERLLPDRQDIRIREDEYGLLETAMGYRYRSDAIIADE
FDDGACVEDPLRPSGAPGTRLAHVWLRRGEETISSHDLIGRDFMLFTGPD
GGDWIEAARRIALRSKAPLGVCRLGFDVDDPEGLFLPRLRISPEGALLVR
PDGYIAWRSRGRSPDPFATLEASFARVRGFDT
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 chain8fhj Chain C 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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PDB8fhj Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		V11 G12 G14 A16 E35 R36 R37 R42 K45 A46 H47 Q115 T138 L139 D173 G174 N240 W281 G300 D301 P308 G311 G313 G314 Q315
Binding residue
(residue number reindexed from 1)		V10 G11 G13 A15 E34 R35 R36 R41 K44 A45 H46 Q114 T137 L138 D172 G173 N239 W280 G299 D300 P307 G310 G312 G313 Q314
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 08:43:38 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 = '8fhj', asym_id = 'C', bs = 'BS01', title = 'Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8fhj', asym_id='C', bs='BS01', title='Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2.')
   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 = '0016491,0071949', uniprot = '', pdbid = '8fhj', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0071949', uniprot='', pdbid='8fhj', asym_id='C')
    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>