› 4y0d

X-ray diffraction
2.19Å resolution

Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)

Released:
DOI: 10.2210/pdb4y0d/pdb
PDB entry 4y0d coloured by chain, front view.
PDB entry 4y0d coloured by chain, side view.
PDB entry 4y0d coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Mechanism of inactivation of γ-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylene-1-cyclopentanoic acid (CPP-115).
Lee H, Doud EH, Wu R, Sanishvili R, Juncosa JI, Liu D, Kelleher NL, Silverman RB
J Am Chem Soc 137 2628-40 (2015)
PMID: 25616005

Function and Biology Details

Reactions catalysed: 
4-aminobutanoate + 2-oxoglutarate = succinate semialdehyde + L-glutamate
(S)-3-amino-2-methylpropanoate + 2-oxoglutarate = 2-methyl-3-oxopropanoate + L-glutamate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160351 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-aminobutyrate aminotransferase, mitochondrial Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 463 amino acids
Theoretical weight: 52.44 KDa
Source organism: Sus scrofa
Expression system: Sus scrofa
UniProt:
  • Canonical: P80147 (Residues: 39-500; Coverage: 92%)
Gene names: ABAT, GABAT
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand FES 2 x FES
Ligand RW2 4 x RW2
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 69.555Å b: 227.28Å c: 70.999Å
α: 90° β: 108.83° γ: 90°
R-values:
R R work R free
0.17 0.168 0.209
Expression system: Sus scrofa

Quick links

Citations

1 review citation

A resurging boom in new drugs for epilepsy and brain disorders.
Younus et al. (2018)
15 other articles

2 mentions without citation

Design and Mechanism of GABA Aminotransferase Inactivators. Treatments for Epilepsies and Addictions.
Silverman RB. (2018)
1 more