Structure of PDB 4qry Chain B Binding Site BS03

Receptor Information
>4qry Chain B (length=258) Species: 2257 (Natronomonas pharaonis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTQRELFEFVLNDPLLASSLYINIALAGLSILLFVFMTRGLDDPRAKLIA
VSTILVPVVSIASYTGLASGLTISVLEMPAGHFAEGSSVMLGGEEVDGVV
TMWGRYLTWALSTPMILLALGLLAGSNATKLFTAITFDIAMCVTGLAAAL
TTSSHLMRWFWYAISCACFIVVLYILLVEWAQDAKAAGTADIFSTLKLLT
VVMWLGYPIVWALGVEGVAVLPVGYTSWAYSALDIVAKYIFAFLLLNYLT
SNEGVVSG
Ligand information
Ligand IDBR
InChIInChI=1S/BrH/h1H/p-1
InChIKeyCPELXLSAUQHCOX-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Br-]
FormulaBr
NameBROMIDE ION
ChEMBL
DrugBank
ZINC
PDB chain4qry Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qry Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin
Resolution2.2 Å
Binding residue
(original residue number in PDB)
S130 T131 I134
Binding residue
(residue number reindexed from 1)
S112 T113 I116
Annotation score3
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Fri Nov 15 14:11:16 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 = '4qry', asym_id = 'B', bs = 'BS03', title = 'Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4qry', asym_id='B', bs='BS03', title='Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin')
   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 = '0005216,0006811,0016020', uniprot = '', pdbid = '4qry', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020', uniprot='', pdbid='4qry', asym_id='B')
    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>