› 7du1

X-ray diffraction
1.79Å resolution

Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid

Released:
DOI: 10.2210/pdb7du1/pdb
PDB entry 7du1 coloured by chain, front view.
PDB entry 7du1 coloured by chain, side view.
PDB entry 7du1 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-β-lactamase inhibitors.
Yan YH, Li W, Chen W, Li C, Zhu KR, Deng J, Dai QQ, Yang LL, Wang Z, Li GB
Eur J Med Chem 228 113965 (2022)
PMID: 34763944

Function and Biology Details

Biochemical function:
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 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: PAERUG_P19_London_7_VIM_2_05_10_01672, bla vim-2, blaVIM-2, blm
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: C2
Unit cell:
a: 103.302Å b: 79.58Å c: 67.842Å
α: 90° β: 130.91° γ: 90°
R-values:
R R work R free
0.216 0.214 0.26
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Recent Developments to Cope the Antibacterial Resistance via β-Lactamase Inhibition.
Iqbal et al. (2022)
1 more