› 4zsw

X-ray diffraction
1.7Å resolution

Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid

Released:
DOI: 10.2210/pdb4zsw/pdb
PDB entry 4zsw coloured by chain, front view.
PDB entry 4zsw coloured by chain, side view.
PDB entry 4zsw coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Lee H, Le HV, Wu R, Doud E, Sanishvili R, Kellie JF, Compton PD, Pachaiyappan B, Liu D, Kelleher NL, Silverman RB
ACS Chem Biol 10 2087-98 (2015)
PMID: 26110556

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: 461 amino acids
Theoretical weight: 52.24 KDa
Source organism: Sus scrofa
Expression system: Sus scrofa domesticus
UniProt:
  • Canonical: P80147 (Residues: 39-499; Coverage: 92%)
Gene names: ABAT, GABAT
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 69.601Å b: 227.614Å c: 71.343Å
α: 90° β: 108.97° γ: 90°
R-values:
R R work R free
0.159 0.158 0.195
Expression system: Sus scrofa domesticus

Quick links

Citations

5 citation in other articles

Synthesis and Deployment of an Elusive Fluorovinyl Cation Equivalent: Access to Quaternary α-(1'-Fluoro)vinyl Amino Acids as Potential PLP Enzyme Inactivators.
McCune et al. (2017)
4 more

3 mentions without citation

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