Structure of PDB 2fhx Chain A Binding Site BS01

Receptor Information

>2fhx Chain A (length=245) Species: 287 (Pseudomonas aeruginosa)

DHVDLPYNLTATKIDSDVFVVTDRDFYSSNVLVAKMLDGTVVIVSSPFEN
LGTQTLMDWVAKTMKPKKVVAINTHFHLDGTGGNEIYKKMGAETWSSDLT
KQLRLEENKKDRIKAAEFYKNEDLKRRILSSHPVPADNVFDLKQGKVFSF
SNELVEVSFPGPAHSPDNVVVYFPKKKLLFGGCMIKPKELGYLGDANVKA
WPDSARRLKKFDAKIVIPGHGEWGGPEMVNKTIKVAEKAVGEMRL

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: 2fhx Chain A Residue 317

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2fhx Crystal Structure of Pseudomonas aeruginosa SPM-1 Provides Insights into Variable Zinc Affinity of Metallo-beta-lactamases.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H116 H118 H196
• Binding residue (residue number reindexed from 1): H75 H77 H164
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H116 H118 D120 H196 C221 K224 Y233 H263
• Catalytic site (residue number reindexed from 1): H75 H77 D79 H164 C183 K186 Y192 H220
• 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:2fhx, PDBe:2fhx, PDBj:2fhx
• PDBsum: 2fhx
• PubMed: 16460758
• UniProt: Q8G9Q0