Structure of PDB 3o84 Chain B Binding Site BS02

Receptor Information
>3o84 Chain B (length=436) Species: 557601 (Acinetobacter baumannii AB900) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAIICGER
QLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFALLKAG
VVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLHDVNL
SPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSGGSTG
TPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSPGALG
VLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAAQYKD
QIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTRLDDS
DEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCGYYQS
PEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKD
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 chain3o84 Chain B Residue 543 [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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PDB3o84 Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q305 L307 N330
Binding residue
(residue number reindexed from 1)		Q303 L305 N328
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 19:12:03 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 = '3o84', asym_id = 'B', bs = 'BS02', title = 'Biochemical and structural characterization of b...ylate-forming enzyme of acinetobactin synthesis. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3o84', asym_id='B', bs='BS02', title='Biochemical and structural characterization of b...ylate-forming enzyme of acinetobactin synthesis. ')
   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 = '0008668,0019290', uniprot = '', pdbid = '3o84', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008668,0019290', uniprot='', pdbid='3o84', 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>