› 5ni0

X-ray diffraction
1.67Å resolution

VIM-2_10c. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding

Released:
DOI: 10.2210/pdb5ni0/pdb
PDB 5ni0 coloured by chain and viewed from the front.
PDB 5ni0 coloured by chain and viewed from the side.
PDB 5ni0 coloured by chain and viewed from the top.
Source organism: Pseudomonas aeruginosa
Primary publication:
Metallo-β-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Skagseth S, Akhter S, Paulsen MH, Muhammad Z, Lauksund S, Samuelsen Ø, Leiros HS, Bayer A
Eur J Med Chem 135 159-173 (2017)
PMID: 28445786

Function and Biology Details

Biochemical function:
  • not assigned
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, E
Molecule details ›
Chains: A, E
Length: 266 amino acids
Theoretical weight: 28.35 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K2N0 (Residues: 1-266; Coverage: 100%)
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

2 bound ligands:
Ligand ZN 4 x ZN
Ligand 8XW 2 x 8XW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 45.716Å b: 91.07Å c: 122.912Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.214
Expression system: Escherichia coli

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Citations

5 review citations

Enzyme Inhibitors: The Best Strategy to Tackle Superbug NDM-1 and Its Variants.
Li et al. (2021)
4 more

1 mention without citation

Electrosynthesis of high-entropy metallic glass nanoparticles for designer, multi-functional electrocatalysis.
Glasscott et al. (2019)