› 6v1p

X-ray diffraction
1.2Å resolution

Structure of VIM-2 bound to QPX7728 at 1.20 A

Released:
DOI: 10.2210/pdb6v1p/pdb
Model geometry
Data not analysed
Fit model/data
Data not analysed
PDB entry 6v1p coloured by chain, front view.
PDB entry 6v1p coloured by chain, side view.
PDB entry 6v1p coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-β-lactamases.
Hecker SJ, Reddy KR, Lomovskaya O, Griffith DC, Rubio-Aparicio D, Nelson K, Tsivkovski R, Sun D, Sabet M, Tarazi Z, Parkinson J, Totrov M, Boyer SH, Glinka TW, Pemberton OA, Chen Y, Dudley MN
J Med Chem 63 7491-7507 (2020)
PMID: 32150407

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
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:
beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 242 amino acids
Theoretical weight: 25.69 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9K2N0 (Residues: 27-266; Coverage: 98%)
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

4 bound ligands:
Ligand QNA 2 x QNA
Ligand ZN 6 x ZN
Ligand ACT 4 x ACT
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Unit cell:
a: 66.67Å b: 79.12Å c: 77.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.144 0.143 0.168
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

18 review citations

Metallo-β-lactamases in the Age of Multidrug Resistance: From Structure and Mechanism to Evolution, Dissemination, and Inhibitor Design.
Bahr et al. (2021)
17 more

3 mentions without citation

QPX7728, An Ultra-Broad-Spectrum B-Lactamase Inhibitor for Intravenous and Oral Therapy: Overview of Biochemical and Microbiological Characteristics.
Lomovskaya et al. (2021)
2 more