Structure of PDB 1wuo Chain B Binding Site BS01

Receptor Information

>1wuo Chain B (length=219) Species: 615 (Serratia marcescens)

SLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFT
AKDTEKLVTWFVERGYKIKGSISSHFHSASTGGIEWLNSRSIPTYASELT
NELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERK
ILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGD
ASLLKLTLEQAVKGLNESK

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: 1wuo Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wuo Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): H77 H79 H139
• Binding residue (residue number reindexed from 1): H75 H77 H137
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H77 H79 A81 H139 C158 K161 N167 H197
• Catalytic site (residue number reindexed from 1): H75 H77 A79 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:1wuo, PDBe:1wuo, PDBj:1wuo
• PDBsum: 1wuo
• PubMed: 15788415
• UniProt: P52699|BLAB_SERMA Metallo-beta-lactamase type 2