› 6qw9

X-ray diffraction
1.04Å resolution

Crystal structure of KPC-2 complexed with relebactam (16 hour soak)

Released:
DOI: 10.2210/pdb6qw9/pdb
PDB entry 6qw9 coloured by chain, front view.
PDB entry 6qw9 coloured by chain, side view.
PDB entry 6qw9 coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Molecular Basis of Class A β-Lactamase Inhibition by Relebactam.
Tooke CL, Hinchliffe P, Lang PA, Mulholland AJ, Brem J, Schofield CJ, Spencer J
OpenAccess logo Antimicrob Agents Chemother 63 (2019)
PMID: 31383664

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190259 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbapenem-hydrolyzing beta-lactamase KPC-2 Chain: A
Molecule details ›
Chain: A
Length: 290 amino acids
Theoretical weight: 30.81 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9F663 (Residues: 25-293; Coverage: 100%)
Gene names: KPC-1, KPC-2, bla, kpc, kpc1
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand SO4 3 x SO4
Ligand GOL 1 x GOL
Ligand MK7 1 x MK7
Ligand JJT 1 x JJT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21212
Unit cell:
a: 59.925Å b: 78.535Å c: 55.843Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.116 0.115 0.134
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

New β-Lactam-β-Lactamase Inhibitor Combinations.
Yahav et al. (2020)
8 more

5 mentions without citation

The biogenesis of β-lactamase enzymes.
Kaderabkova et al. (2022)
4 more