6lj2

X-ray diffraction
1.35Å resolution

Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer

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:
Biological process:
Cellular component:

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 Chain: A
Molecule details ›
Chain: A
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

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P21
Unit cell:
a: 41.799Å b: 60.296Å c: 42.426Å
α: 90° β: 98.07° γ: 90°
R-values:
R R work R free
0.154 0.152 0.188
Expression system: Escherichia coli BL21(DE3)