› 4x69

X-ray diffraction
1.42Å resolution

Crystal structure of OP0595 complexed with CTX-M-44

Released:
DOI: 10.2210/pdb4x69/pdb
PDB entry 4x69 coloured by chain, front view.
PDB entry 4x69 coloured by chain, side view.
PDB entry 4x69 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
OP0595, a new diazabicyclooctane: mode of action as a serine β-lactamase inhibitor, antibiotic and β-lactam 'enhancer'.
Morinaka A, Tsutsumi Y, Yamada M, Suzuki K, Watanabe T, Abe T, Furuuchi T, Inamura S, Sakamaki Y, Mitsuhashi N, Ida T, Livermore DM
J Antimicrob Chemother 70 2779-86 (2015)
PMID: 26089439

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Toho-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 28.25 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q47066 (Residues: 30-291; Coverage: 100%)
Gene name: bla
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand OP0 2 x OP0
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P21
Unit cell:
a: 51.533Å b: 72.982Å c: 63.052Å
α: 90° β: 109.29° γ: 90°
R-values:
R R work R free
0.185 0.184 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

29 review citations

Interplay between β-lactamases and new β-lactamase inhibitors.
Bush et al. (2019)
28 more

2 mentions without citation

The Role of the Ω-Loop in Regulation of the Catalytic Activity of TEM-Type β-Lactamases.
Egorov et al. (2019)
1 more