› 7lk1

X-ray diffraction
1.79Å resolution

Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking

Released:
DOI: 10.2210/pdb7lk1/pdb
PDB entry 7lk1 coloured by chain, front view.
PDB entry 7lk1 coloured by chain, side view.
PDB entry 7lk1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Turnover and Inactivation Mechanisms for (S)-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
Shen S, Butrin A, Doubleday PF, Melani RD, Beaupre BA, Tavares MT, Ferreira GM, Kelleher NL, Moran GR, Liu D, Silverman RB
J Am Chem Soc 143 8689-8703 (2021)
PMID: 34097381

Function and Biology Details

Reaction catalysed: 
L-ornithine + a 2-oxo acid = L-glutamate 5-semialdehyde + an L-amino acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137491 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ornithine aminotransferase, mitochondrial Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 404 amino acids
Theoretical weight: 44.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04181 (Residues: 36-439; Coverage: 92%)
Gene name: OAT
Sequence domains: Aminotransferase class-III

Ligands and Environments

1 bound ligand:
Ligand Y37 3 x Y37
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P3221
Unit cell:
a: 115.65Å b: 115.65Å c: 186.69Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.216 0.241
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
Butrin et al. (2022)
1 more

2 mentions without citation

Inactivators of Ornithine Aminotransferase for the Treatment of Hepatocellular Carcinoma.
Silverman RB. (2022)
1 more