› 4s2k

X-ray diffraction
2.1Å resolution

OXA-48 in complex with Avibactam at pH 7.5

Released:
DOI: 10.2210/pdb4s2k/pdb
PDB entry 4s2k coloured by chain, front view.
PDB entry 4s2k coloured by chain, side view.
PDB entry 4s2k coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Molecular Mechanism of Avibactam-Mediated β-Lactamase Inhibition.
King DT, King AM, Lal SM, Wright GD, Strynadka NC
ACS Infect Dis 1 175-84 (2015)
PMID: 27622530

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

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180524 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 265 amino acids
Theoretical weight: 30.4 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 1-265; Coverage: 100%)
Gene names: BANRA_05332, BV369_20085, GJJ01_28680, KPE71T_00045, SAMEA3729652_05148, bla OXA-48, blaOXA-48, bla_4
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand NXL 4 x NXL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08B1-1
Spacegroup: P32
Unit cell:
a: 142.78Å b: 142.78Å c: 52.42Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.175 0.206
Expression system: Escherichia coli

Quick links

Citations

6 review citations

β-Lactamases and β-Lactamase Inhibitors in the 21st Century.
Tooke et al. (2019)
5 more

7 mentions without citation

Antimicrobial Resistance Conferred by OXA-48 β-Lactamases: Towards a Detailed Mechanistic Understanding.
Hirvonen et al. (2021)
6 more