Structure of PDB 1jjt Chain A Binding Site BS02

Receptor Information

>1jjt Chain A (length=220) Species: 287 (Pseudomonas aeruginosa)

SLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFT
AKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELT
NELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERK
ILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGD
ASLLKLTLEQAVKGLNESKK

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: 1jjt Chain A Residue 252

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1jjt Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D81 C158 H197
• Binding residue (residue number reindexed from 1): D79 C156 H195
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H77 H79 D81 H139 C158 K161 N167 H197
• 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:1jjt, PDBe:1jjt, PDBj:1jjt
• PDBsum: 1jjt
• PubMed: 11390410
• UniProt: Q79MP6