Structure of PDB 4xeq Chain C Binding Site BS01

Receptor Information
>4xeq Chain C (length=302) Species: 573059 (Nitratidesulfovibrio vulgaris RCH1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDITLAVVTKPGSAQYVCAERFAQLLAERSDKRFNVVLHHSASLGTETDI
LQQVQLGAVQMAIVTTGTLDAFVPEMAALDFPFLFTDTTTADRVLDGPVG
RGLLDRLSTAGFKGLHFSENGFRHLTNSIRPVMTPDDVRGLKIRVMESQV
HRELWRTLGANPTPMGWPIYAELQQGTLDGQENPLWVIAEYRLNEVQKHL
SLTGHVYSTHTDLANLAWFEALPANDRRLLASCMQDAALWQRTWSRQRDA
AYLEQLRTAGMQVIERPDIATFRQRVQPLSGSALFEHKGVRKALEDLMAA
TR
Ligand information
Ligand IDPAF
InChIInChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1
InChIKeyOTOIIPJYVQJATP-BYPYZUCNSA-M
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO)[CH](O)C([O-])=O
OpenEye OEToolkits 1.5.0CC(C)(CO)C(C(=O)[O-])O
OpenEye OEToolkits 1.5.0CC(C)(CO)[C@H](C(=O)[O-])O
CACTVS 3.341CC(C)(CO)[C@@H](O)C([O-])=O
ACDLabs 10.04O=C([O-])C(O)C(C)(C)CO
FormulaC6 H11 O4
NamePANTOATE;
2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRATE
ChEMBL
DrugBankDB01930
ZINC
PDB chain4xeq Chain C Residue 401 [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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PDB4xeq CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T102 N157 R160 R181 M183 W204 N220 V224 H247
Binding residue
(residue number reindexed from 1)		T65 N120 R123 R144 M146 W167 N183 V187 H210
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Mar 12 01:38:02 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 = '4xeq', asym_id = 'C', bs = 'BS01', title = 'CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE B...EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4xeq', asym_id='C', bs='BS01', title='CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE B...EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID ')
   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 = '0030288,0055085', uniprot = '', pdbid = '4xeq', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030288,0055085', uniprot='', pdbid='4xeq', 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>