› 5y6e

X-ray diffraction
1.8Å resolution

VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)

Released:
DOI: 10.2210/pdb5y6e/pdb
PDB 5y6e coloured by chain and viewed from the front.
PDB 5y6e coloured by chain and viewed from the side.
PDB 5y6e coloured by chain and viewed from the top.
Source organism: Pseudomonas aeruginosa
Entry author: Li G-B

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lactamase_B domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 231 amino acids
Theoretical weight: 24.68 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9K2N0 (Residues: 32-262; Coverage: 94%)
Gene names: VIM-2, bla vim-2, bla-VIM-2, blaVIM-2, blaVIM2, blasVIM-2, vim-2
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand 8PO 2 x 8PO
Ligand FMT 4 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 101.355Å b: 74.452Å c: 64.456Å
α: 90° β: 129.46° γ: 90°
R-values:
R R work R free
0.138 0.136 0.173
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Approaches for the discovery of metallo-β-lactamase inhibitors: A review.
Shi et al. (2019)
1 more