Structure of PDB 1bc2 Chain A Binding Site BS01

Receptor Information
>1bc2 Chain A (length=216) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVIKNETGTISISQLNKNVWVHTELGAVPSNGLVLNTSKGLVLVDSSWDD
KLTKELIEMVEKKFQKRVTDVIITHAHADRIGGIKTLKERGIKAHSTALT
AELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQY
NILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGHG
EVGDKGLLLHTLDLLK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1bc2 Chain A Residue 228 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bc2 Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H86 H88 H149
Binding residue
(residue number reindexed from 1)		H75 H77 H138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H86 H88 D90 H149 C168 K171 N180 H210
Catalytic site (residue number reindexed from 1) H75 H77 D79 H138 C157 K160 N169 H199
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process
GO:0046677 response to antibiotic
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bc2, PDBe:1bc2, PDBj:1bc2
PDBsum1bc2
PubMed9730812
UniProtP04190|BLA2_BACCE Metallo-beta-lactamase type 2 (Gene Name=blm)

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