Structure of PDB 4qon Chain A Binding Site BS03

Receptor Information
>4qon Chain A (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 IDCAQ
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1O
FormulaC6 H6 O2
NameCATECHOL;
1,2-DIHYDROXYBENZENE
ChEMBLCHEMBL280998
DrugBankDB02232
ZINCZINC000013512214
PDB chain4qon Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4qon 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.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H57 V98 N130 F135 F143 M146
Binding residue
(residue number reindexed from 1)		H52 V93 N125 F130 F138 M141
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 00:39:40 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 = '4qon', asym_id = 'A', 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='4qon', asym_id='A', 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 = '4qon', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004096,0006979,0020037', uniprot='', pdbid='4qon', 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>