Structure of PDB 4qor Chain B Binding Site BS03

Receptor Information
>4qor Chain B (length=480) Species: 1408 (Bacillus pumilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKNLTTNQGVPVGDNQNSRTAGHRGPSFLDDYHLIEKLAHFDRERIPERV
VHARGAGAYGVFEVENSMEKHTRAAFLSEEGKQTDVFVRFSTVIHPKGSP
ETLRDPRGFAVKFYTEEGNYDLVGNNLPIFFIRDALKFPDMVHSLKPDPV
TNIQDPDRYWDFMTLTPESTHMLTWLFSDEGIPANYAEMRGSGVHTFRWV
NKYGETKYVKYHWRPSEGIRNLSMEEAAEIQANDFQHATRDLYDRIEKGN
YPAWDLYVQLMPLSDYDELDYDPCDPTKTWSEEDYPLQKVGRMTLNRNPE
NFFAETEQAAFTPSALVPGIEASEDKLLQGRLFSYPDTQRHRLGANYMRI
PVNCPYAPVHNNQQDGFMTTTRPSGHINYEPNRYDDQPKENPHYKESEPV
LHGDRMVRQKIEKPNDFKQAGEKYRSYSEEEKQALIKNLTADLKGVNEKT
KLLAICNFYRADEDYGQRLADSLGVDIRSY
Ligand information
Ligand ID2CH
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)Cl
CACTVS 3.341Oc1ccccc1Cl
FormulaC6 H5 Cl O
Name2-CHLOROPHENOL
ChEMBLCHEMBL108877
DrugBankDB03110
ZINCZINC000000402767
PDB chain4qor Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qor Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R109 D110 F136 L150 Y164 L181
Binding residue
(residue number reindexed from 1)		R104 D105 F131 L145 Y159 L176
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 11:40:25 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 = '4qor', asym_id = 'B', bs = 'BS03', title = 'Unprecedented access of phenolic substrates to t...d by X-ray crystallography and EPR spectroscopy. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4qor', asym_id='B', bs='BS03', title='Unprecedented access of phenolic substrates to t...d by X-ray crystallography and EPR spectroscopy. ')
   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 = '0004096,0006979,0020037', uniprot = '', pdbid = '4qor', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004096,0006979,0020037', uniprot='', pdbid='4qor', 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>