Structure of PDB 2nzf Chain A Binding Site BS01

Receptor Information

>2nzf Chain A (length=215) Species: 1396 (Bacillus cereus)

TVIKNETGTISISQLNKNVWVHTELGVPSNGLVLNTSKGLVLVDSSWDDK
LTKELIEMVEKKFQKRVTDVIITHAHADHIGGIKTLKERGIKAHSTALTA
ELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQYN
ILVGGSLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGHGE
VGDKGLLLHTLDLLK

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: 2nzf Chain A Residue 228

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nzf The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
• Resolution: 2.28 Å
• Binding residue (original residue number in PDB): H86 H88 H149
• Binding residue (residue number reindexed from 1): H74 H76 H137
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H86 H88 D90 H149 S168 K171 N180 H210
• Catalytic site (residue number reindexed from 1): H74 H76 D78 H137 S156 K159 N168 H198
• 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:2nzf, PDBe:2nzf, PDBj:2nzf
• PDBsum: 2nzf
• PubMed: 17915249
• UniProt: P04190|BLA2_BACCE Metallo-beta-lactamase type 2 (Gene Name=blm)