Structure of PDB 8a8o Chain B Binding Site BS02

Receptor Information
>8a8o Chain B (length=544) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVKKIFTDILIIGGGAAGCQAAIRAKEIDKNLDVLIVEKANIIRSGCLA
AGVNAINAYLNEGETPESYVEYVKKESSGLIREDLTYTIGKRLNKMAKKL
EEYGLPIQKDGKRSIKINGESIKPILAEATLKAGVKVLNNTIATNYILKD
ETVCGAYAFSIKENKFYVIMAKAVICTTGGASGIYKPNNPGAARHKMWYS
PFNTGAGFAMGLRAGAEMTTFEMRFIALRVKDVISPTGTIVSQINALGEK
YMEKYENNTTPMRLYATLIENLEGRGPCYLDTRGISDEDVQKLKEAYLSM
SPGIILKWKDEKINPKNTPIEICGSEPYIVGGHGQAGYWVDINRKTTLEG
LYAAGDVVGGSPKKYVTGCMAEGEIAVEAAIEYIKSMENDIEIDEQEIAK
EIDRVFYPLNNKKGEFSPDEIEERMQKVMDEYAGGISSYYRVNESKLLIA
RELLKAIEEDLSKIKVRNRYELMKYHEVVDRILVARAVVEHLLYRKETRW
KCYQERVDYPEIDDNWFKFINSKYNSQTNDIEIIEREYEKFNPV
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 chain8a8o Chain B Residue 606 [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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PDB8a8o How a methanogen assimilates sulfate: Structural and functional elucidation of the complete sulfate-reduction pathway.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H203 E435
Binding residue
(residue number reindexed from 1)		H195 E422
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 21:31:44 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 = '8a8o', asym_id = 'B', bs = 'BS02', title = 'How a methanogen assimilates sulfate: Structural...dation of the complete sulfate-reduction pathway.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8a8o', asym_id='B', bs='BS02', title='How a methanogen assimilates sulfate: Structural...dation of the complete sulfate-reduction pathway.')
   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 = '0016491', uniprot = '', pdbid = '8a8o', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='8a8o', 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>