Structure of PDB 2bga Chain B Binding Site BS01

Receptor Information

>2bga Chain B (length=218) Species: 1396 (Bacillus cereus)

KTVIKNETGTISISQLNKNVWVHTELGSAVPSNGLVLNTSKGLVLVDSSW
DDKLTKELIEMVEKKFQKRVTDVIITHAHADCIGGIKTLKERGIKAHSTA
LTAELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLP
QYNILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPG
HGEVGDKGLLLHTLDLLK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2bga Chain B Residue 1293

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bga Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): H116 H118 H196
• Binding residue (residue number reindexed from 1): H77 H79 H140
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H116 H118 D120 H196 C221 K224 N233 H263
• Catalytic site (residue number reindexed from 1): H77 H79 D81 H140 C159 K162 N171 H201
• 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

External links

• PDB: RCSB:2bga, PDBe:2bga, PDBj:2bga
• PDBsum: 2bga
• PubMed: 15779910
• UniProt: P04190|BLA2_BACCE Metallo-beta-lactamase type 2 (Gene Name=blm)