Structure of PDB 4xa7 Chain A Binding Site BS01

Receptor Information
>4xa7 Chain A (length=226) Species: 1125980 (Vibrio harveyi CAIM 1792) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQKANAVLDKQSKIIEVAGIDAEGKKVPELFAEYIEPRLVDFKTGDFVEK
AEDGSTAANYDQRKAAKDPAESIKLTADEDKAKILRRANTGIVYLVKSGD
DISKVIIPVHGNGLWSMMYAFVAVETDGNTVSGITYYEQGETPGLGGEVE
NPAWRAQFVGKKLFDENHKPAIKIVKGGAPEGSEHGVDGLSGATLTGNGV
QGTFDFWLGDMGFGPFLAKVRDGGLN
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain4xa7 Chain A Residue 301 [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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PDB4xa7 Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		L149 W150 T177 L180 G181 A228 T229 L230 T231
Binding residue
(residue number reindexed from 1)		L114 W115 T142 L145 G146 A193 T194 L195 T196
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Mar 12 01:41:33 2025

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 = '4xa7', asym_id = 'A', bs = 'BS01', title = 'Structural and Functional Investigation of Flavi...NADH:Quinone Oxidoreductase from Vibrio harveyi. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4xa7', asym_id='A', bs='BS01', title='Structural and Functional Investigation of Flavi...NADH:Quinone Oxidoreductase from Vibrio harveyi. ')
   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 = '0006814,0010181,0016020,0016655', uniprot = '', pdbid = '4xa7', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006814,0010181,0016020,0016655', uniprot='', pdbid='4xa7', 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>