6d1h

X-ray diffraction
1.25Å resolution

Crystal structure of NDM-1 complexed with compound 11

Released:

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 Chain: A
Molecule details ›
Chain: A
Length: 233 amino acids
Theoretical weight: 24.6 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C7C422 (Residues: 42-270; Coverage: 95%)
Gene name: blaNDM-1
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21
Unit cell:
a: 42.03Å b: 59.99Å c: 41.67Å
α: 90° β: 97.88° γ: 90°
R-values:
R R work R free
0.148 0.146 0.18
Expression system: Escherichia coli BL21(DE3)