› 6v8c

X-ray diffraction
1.9Å resolution

Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators

Released:
DOI: 10.2210/pdb6v8c/pdb
PDB entry 6v8c coloured by chain, front view.
PDB entry 6v8c coloured by chain, side view.
PDB entry 6v8c coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Zhu W, Doubleday PT, Catlin DS, Weerawarna P, Butrin A, Shen S, Kelleher NL, Liu D, Silverman RB

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


Cofactor: Ligand PLP 3 x PLP
1 bound ligand:
Ligand QRM 3 x QRM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P3112
Unit cell:
a: 193.782Å b: 193.782Å c: 57.2Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.24 0.239 0.268
Expression system: Escherichia coli

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