› 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 entry 5ni0 coloured by chain, front view.
PDB entry 5ni0 coloured by chain, side view.
PDB entry 5ni0 coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-191748 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 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: PAERUG_P19_London_7_VIM_2_05_10_01672, bla vim-2, blaVIM-2, blm
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

Quick links

Citations

6 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
5 more

9 mentions without citation

Particle atomic layer deposition.
Weimer AW. (2019)
8 more