6q2y

X-ray diffraction
1Å resolution

Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3

Released:
Model geometry
Fit model/data

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

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-111680 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 244 amino acids
Theoretical weight: 25.86 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: C7C422 (Residues: 27-270; Coverage: 100%)
Gene name: blaNDM-1
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 70.425Å b: 73.95Å c: 77.687Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.166 0.176
Expression system: Escherichia coli