› 5jqj

X-ray diffraction
1.67Å resolution

Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1

Released:
DOI: 10.2210/pdb5jqj/pdb
PDB entry 5jqj coloured by chain, front view.
PDB entry 5jqj coloured by chain, side view.
PDB entry 5jqj coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Entry authors: Hong N-S, Jackson CJ, Carr PD

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
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: 245 amino acids
Theoretical weight: 25.99 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
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:
Ligand ZN 2 x ZN
Ligand MES 2 x MES
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2221
Unit cell:
a: 37.795Å b: 137.724Å c: 77.455Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.147 0.144 0.187
Expression system: Escherichia coli

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