4s2n

X-ray diffraction
2Å resolution

OXA-48 in complex with Avibactam at pH 8.5

Released:
Source organism: Klebsiella pneumoniae
Primary publication:
Molecular Mechanism of Avibactam-Mediated ��-Lactamase Inhibition.
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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
monomeric
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 265 amino acids
Theoretical weight: 30.44 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 1-265; Coverage: 100%)
Gene names: KPE71T_00045, SAMEA3727643_05844, bla OXA-48, blaOXA-48, bla_4
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains: DD-peptidase/beta-lactamase superfamily
Beta-lactamase Chains: C, D
Molecule details ›
Chains: 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: KPE71T_00045, SAMEA3727643_05844, 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:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08B1-1
Spacegroup: P32
Unit cell:
a: 142.039Å b: 142.039Å c: 50.401Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.192 0.223
Expression system: Escherichia coli