› 3m0j

X-ray diffraction
1.55Å resolution

Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate

Released:
DOI: 10.2210/pdb3m0j/pdb
PDB entry 3m0j coloured by chain, front view.
PDB entry 3m0j coloured by chain, side view.
PDB entry 3m0j coloured by chain, top view.
Source organism: Cryphonectria parasitica
Primary publication:
Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
Chen C, Sun Q, Narayanan B, Nuss DL, Herzberg O
J Biol Chem 285 26685-96 (2010)
PMID: 20558740

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163768 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxaloacetate acetyl hydrolase Chain: A
Molecule details ›
Chain: A
Length: 307 amino acids
Theoretical weight: 33.1 KDa
Source organism: Cryphonectria parasitica
Expression system: Escherichia coli
Structure domains: Phosphoenolpyruvate-binding domains

Ligands and Environments

3 bound ligands:
Ligand OAF 1 x OAF
Ligand MN 1 x MN
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P42212
Unit cell:
a: 82.144Å b: 82.144Å c: 72.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.201
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Mechanisms of Broad Host Range Necrotrophic Pathogenesis in Sclerotinia sclerotiorum.
Liang et al. (2018)
4 more

2 mentions without citation

Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study.
Sen et al. (2022)
1 more