› 4hky

X-ray diffraction
2Å resolution

New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem

Released:
DOI: 10.2210/pdb4hky/pdb
PDB entry 4hky coloured by chain, front view.
PDB entry 4hky coloured by chain, side view.
PDB entry 4hky coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Entry authors: Kim Y, Tesar C, Jedrzejczak R, Babnigg J, Mire J, Sacchettini J, Joachimiak A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-111680 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase type 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 243 amino acids
Theoretical weight: 25.72 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: C7C422 (Residues: 31-270; Coverage: 99%)
Gene name: blaNDM-1
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

5 bound ligands:
Ligand FPM 2 x FPM
Ligand SFR 2 x SFR
Ligand CD 6 x CD
Ligand CL 4 x CL
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 145.627Å b: 39.324Å c: 75.37Å
α: 90° β: 99.96° γ: 90°
R-values:
R R work R free
0.207 0.204 0.251
Expression system: Escherichia coli BL21

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