Structure of PDB 5a1s Chain A Binding Site BS04

Receptor Information
>5a1s Chain A (length=433) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMGAIF
GEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSN
FLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLC
FGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAI
LTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITH
RETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASG
LCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVI
AAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACN
RMNLISYAQISSRLGGGIVLVIASIVFSMMVLE
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain5a1s Chain A Residue 1453 [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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PDB5a1s Mechanism of Na(+)-dependent citrate transport from the structure of an asymmetrical CitS dimer.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D171 R172 M445
Binding residue
(residue number reindexed from 1)		D156 R157 M430
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Feb 22 20:32:26 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 = '5a1s', asym_id = 'A', bs = 'BS04', title = 'Mechanism of Na(+)-dependent citrate transport from the structure of an asymmetrical CitS dimer.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5a1s', asym_id='A', bs='BS04', title='Mechanism of Na(+)-dependent citrate transport from the structure of an asymmetrical CitS dimer.')
   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 = '0008514,0015711,0016020', uniprot = '', pdbid = '5a1s', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008514,0015711,0016020', uniprot='', pdbid='5a1s', 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>