5zgr

X-ray diffraction
1.15Å resolution

Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin

Released:
Source organism: Klebsiella pneumoniae
Entry authors: Zhang H, Hao Q

Function and Biology Details

Reaction catalysed:
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 242 amino acids
Theoretical weight: 25.63 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C7C422 (Residues: 29-270; Coverage: 100%)
Gene name: blaNDM-1
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P212121
Unit cell:
a: 39.142Å b: 79.215Å c: 134.141Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.13 0.129 0.148
Expression system: Escherichia coli BL21(DE3)