Structure of PDB 3f9o Chain A Binding Site BS04

Receptor Information

>3f9o Chain A (length=226) Species: 644 (Aeromonas hydrophila)

AGMSLTQVSGPVYVVEDNYYVQENSMVYFGAKGVTVVGATWTPDTARELH
KLIKRVSRKPVLEVINTNYHTDRAGGNAYWKSIGAKVVSTRQTRDLMKSD
WAEIVAFTRKGLPEYPDLPLVLPNVVHDGDFTLQEGKVRAFYAGPAHTPD
GIFVYFPDEQVLYGNCILKEKLGNLSFADVKAYPQTLERLKAMKLPIKTV
IGGHDSPLHGPELIDHYEALIKAAPQ

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: 3f9o Chain A Residue 309

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3f9o The structure of the dizinc subclass B2 metallo-beta-lactamase CphA reveals that the second inhibitory zinc ion binds in the histidine site
• Resolution: 2.03 Å
• Binding residue (original residue number in PDB): H118 H196
• Binding residue (residue number reindexed from 1): H70 H147
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N116 H118 D120 H196 C221 K224 N233 H263
• Catalytic site (residue number reindexed from 1): N68 H70 D72 H147 C166 K169 N174 H204
• 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:3f9o, PDBe:3f9o, PDBj:3f9o
• PDBsum: 3f9o
• PubMed: 19651913
• UniProt: P26918|BLAB_AERHY Metallo-beta-lactamase type 2 (Gene Name=cphA)