› 4u4l

X-ray diffraction
1.9Å resolution

Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor

Released:
DOI: 10.2210/pdb4u4l/pdb
Model geometry
Fit model/data
PDB entry 4u4l coloured by chain, front view.
PDB entry 4u4l coloured by chain, side view.
PDB entry 4u4l coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Entry authors: Kosmopoulou M, Hinchliffe P, Spencer J

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
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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 246 amino acids
Theoretical weight: 26.01 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
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

3 bound ligands:
Ligand ZN 8 x ZN
Ligand 3C7 4 x 3C7
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P1
Unit cell:
a: 46.57Å b: 69.023Å c: 69.646Å
α: 87.39° β: 88.21° γ: 76.75°
R-values:
R R work R free
0.156 0.154 0.182
Expression system: Escherichia coli BL21(DE3)

Quick links

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO