› 6tm9

X-ray diffraction
1.07Å resolution

VIM-2_1cc-. Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases

Released:
DOI: 10.2210/pdb6tm9/pdb
PDB entry 6tm9 coloured by chain, front view.
PDB entry 6tm9 coloured by chain, side view.
PDB entry 6tm9 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-β-lactamases.
Muhammad Z, Skagseth S, Boomgaren M, Akhter S, Fröhlich C, Ismael A, Christopeit T, Bayer A, Leiros HS
Bioorg Med Chem 28 115598 (2020)
PMID: 32631568

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 Chain: A
Molecule details ›
Chain: A
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

Ligands and Environments

3 bound ligands:
Ligand 9NW 1 x 9NW
Ligand ZN 2 x ZN
Ligand OH 1 x OH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21212
Unit cell:
a: 98.347Å b: 44.343Å c: 60.837Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.138 0.158
Expression system: Escherichia coli

Quick links

Citations

3 review citations

New Carbapenemase Inhibitors: Clearing the Way for the β-Lactams.
Vázquez-Ucha et al. (2020)
2 more