› 6kzl

X-ray diffraction
1.76Å resolution

Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2

Released:
DOI: 10.2210/pdb6kzl/pdb
Model geometry
Fit model/data
PDB entry 6kzl coloured by chain, front view.
PDB entry 6kzl coloured by chain, side view.
PDB entry 6kzl coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-β-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Wachino JI, Jin W, Kimura K, Kurosaki H, Sato A, Arakawa Y
OpenAccess logo mBio 11 (2020)
PMID: 32184250

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-122981 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 246 amino acids
Theoretical weight: 26.05 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: E5KIY2 (Residues: 29-270; Coverage: 90%)
Gene names: AZ95_0035, BANRA_05542, E4K51_24975, ECS01_0033, G5603_25730, NDM1Dok01_N0175, P6223_005359, P6223_006060, RZR61_25285, bla NDM-1, blaNDM-1, pNDM102337_147, pNDM10505_149
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand SO4 5 x SO4
Ligand E1C 2 x E1C
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PHOTON FACTORY BEAMLINE BL-5A
Spacegroup: P212121
Unit cell:
a: 70.72Å b: 74.04Å c: 77.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.148 0.192
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Recent Developments to Cope the Antibacterial Resistance via β-Lactamase Inhibition.
Iqbal et al. (2022)
3 more

1 mention without citation

Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-β-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Wachino et al. (2020)