Structure of PDB 8xrx Chain C Binding Site BS02

Receptor Information
>8xrx Chain C (length=741) Species: 1710 (Cellulosimicrobium cellulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPYLDPAVPVADRVEDLLARMTLPEKVGQMLQLDARDGVGPAVLEKHAG
SLLHTSPENVLAAHELTGRTRLRIPLLLAEDCIHGHSFWVGATIFPTQLG
MAATWDPALVEQVAHATAVEVAATGVHWTFSPVLCIARDLRWGRVDETFG
EDPFLIGELASAMVRGYQGDGLSDPTGILATAKHFAGYSETQGGRDASEA
DISQRKLRSWFLPPFERVAREGCATFMLGYQSMDGVPVTVNGWLLDDVLR
GEWGYTGTLVTDWDNVGRMVWEQHIQPDYVHASAAAVRAGNDMVMTTPRF
FEGALEAVDRGLVEEAAIDAAVRRILTLKFRLGLFEDPRRPDVARQQAIA
SAEHAAVNLEVARRSLVLLTNDGTLPFAGGLDRADGRALAPAGAPARTIA
VVGPNADDDHTQLGDWAGASGQADWLPDGHPREMTTTVLDGFRALAPEGW
AVTHARGADILTLQVVVPAAPDDALIAEAVAAARDADLAVAVVGDRIELV
GEGRSTATLELVGGQVALLDALVATGTPVVVVVVASKPLVLPPSAHAAAA
VVWAANPGMRGGQAVAELVLGLIEPEGRLPISFARHAGQQPTYYNVVRGQ
HGVRYADLTQSPAFAFGEGLSYTTVEYADLRVLGTEHGPDDVVRAEVTLT
NTGSRPVRETVQVYVSDTVTSVTWAEKELKAYRKVDLAPGESATVGLEVP
VADCTLVDAHGRRVVEPGEFELRVGPSSREDALLRASFTVA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8xrx Chain C Residue 802 [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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PDB8xrx A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D690 V692
Binding residue
(residue number reindexed from 1)		D667 V669
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 15:59:20 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 = '8xrx', asym_id = 'C', bs = 'BS02', title = 'A trapped covalent intermediate as a key catalyt...An X-ray crystallographic and biochemical study. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8xrx', asym_id='C', bs='BS02', title='A trapped covalent intermediate as a key catalyt...An X-ray crystallographic and biochemical study. ')
   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 = '0004553,0005975', uniprot = '', pdbid = '8xrx', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975', uniprot='', pdbid='8xrx', 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>