› 6o5t

X-ray diffraction
2.1Å resolution

Crystal Structure of VIM-2 with Compound 16

Released:
DOI: 10.2210/pdb6o5t/pdb
Model geometry
Fit model/data
PDB entry 6o5t coloured by chain, front view.
PDB entry 6o5t coloured by chain, side view.
PDB entry 6o5t coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
Pemberton OA, Jaishankar P, Akhtar A, Adams JL, Shaw LN, Renslo AR, Chen Y
J Med Chem 62 8480-8496 (2019)
PMID: 31483651

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

3 bound ligands:
Ligand ZN 8 x ZN
Ligand L8J 2 x L8J
Ligand ACT 7 x ACT
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 102.389Å b: 79.185Å c: 67.501Å
α: 90° β: 130.6° γ: 90°
R-values:
R R work R free
0.184 0.179 0.236
Expression system: Escherichia coli BL21(DE3)

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Citations

3 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)
2 more

2 mentions without citation

Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
Pemberton et al. (2019)
1 more