Structure of PDB 5a1s Chain C Binding Site BS03

Receptor Information
>5a1s Chain C (length=428) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGASDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMG
AIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMD
KSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVI
GLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTA
IAILTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASDEKAGQITHRE
TAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLC
SPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAA
IIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACNRM
NLISYAQISSRLGGGIVLVIASIVFSMM
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 C Residue 1446 [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)		N186 Y348 R402 G403 G404 S405 R428
Binding residue
(residue number reindexed from 1)		N174 Y331 R385 G386 G387 S388 R411
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Feb 22 20:24:08 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 = 'C', bs = 'BS03', 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='C', bs='BS03', 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 = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008514,0015711,0016020', uniprot='', pdbid='5a1s', 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>