› 5ev8

X-ray diffraction
2.3Å resolution

Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319

Released:
DOI: 10.2210/pdb5ev8/pdb
PDB entry 5ev8 coloured by chain, front view.
PDB entry 5ev8 coloured by chain, side view.
PDB entry 5ev8 coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
Cross-class metallo-β-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Hinchliffe P, González MM, Mojica MF, González JM, Castillo V, Saiz C, Kosmopoulou M, Tooke CL, Llarrull LI, Mahler G, Bonomo RA, Vila AJ, Spencer J
Proc Natl Acad Sci U S A 113 E3745-54 (2016)
PMID: 27303030

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-156597 (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: 230 amino acids
Theoretical weight: 25.3 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P52699 (Residues: 19-246; Coverage: 100%)
Sequence domains: Metallo-beta-lactamase superfamily
Structure domains: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Ligands and Environments

6 bound ligands:
Ligand ZN 8 x ZN
Ligand 3R9 5 x 3R9
Ligand EDO 5 x EDO
Ligand DMS 2 x DMS
Ligand NA 1 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P212121
Unit cell:
a: 48.56Å b: 77.713Å c: 261.638Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.22
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

14 review citations

β-Lactamases and β-Lactamase Inhibitors in the 21st Century.
Tooke et al. (2019)
13 more

4 mentions without citation

Metallo-β-lactamases in the Age of Multidrug Resistance: From Structure and Mechanism to Evolution, Dissemination, and Inhibitor Design.
Bahr et al. (2021)
3 more