Structure of PDB 5b3r Chain B Binding Site BS02

Receptor Information

>5b3r Chain B (length=219) Species: 287 (Pseudomonas aeruginosa)

SLPDLKIEKLEKGVYVHTSFEEVKGWGVVTKHGLVVLVKNDAYLIDTPIT
AKDTEKLVNWFIEHGYRIKGSISTHFHGDSTAGIEWLNSQSISTYASELT
NELLKKDNKVQATNSFSGVSYSLIKNKIEVFYPGPGHTQDNVVVWLPEKK
ILFGGCFVKPDGLGNLGDANLEAWPKSAKILMSKYGKAKLVVSSHSEIGN
ASLLQRTWEQAVKGLNESK

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: 5b3r Chain B Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5b3r Structural and Mutagenic Analysis of Metallo-beta-Lactamase IMP-18
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): C176 H215
• Binding residue (residue number reindexed from 1): C156 H195
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H95 H97 D99 H157 C176 K179 N185 H215
• Catalytic site (residue number reindexed from 1): H75 H77 D79 H137 C156 K159 N165 H195
• 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:5b3r, PDBe:5b3r, PDBj:5b3r
• PDBsum: 5b3r
• PubMed: 27381398
• UniProt: Q5U807