Structure of PDB 2bfl Chain A Binding Site BS01

Receptor Information

>2bfl Chain A (length=216) Species: 1396 (Bacillus cereus)

TVIKNETGTISISQLNKNVWVHTELGAVPSNGLVLNTSKGLVLVDSSWDD
KLTKELIEMVEKKFQKRVTDVIITHAHADCIGGIKTLKERGIKAHSTALT
AELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQY
NILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGHG
EVGDKGLLLHTLDLLK

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: 2bfl Chain A Residue 1296

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bfl 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: 1.8 Å
• Binding residue (original residue number in PDB): H116 H118 H196
• Binding residue (residue number reindexed from 1): H75 H77 H138
• 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): 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

External links

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