› 2abj

X-ray diffraction
2.2Å resolution

Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate.

Released:
DOI: 10.2210/pdb2abj/pdb
PDB entry 2abj coloured by chain, front view.
PDB entry 2abj coloured by chain, side view.
PDB entry 2abj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Hu LY, Boxer PA, Kesten SR, Lei HJ, Wustrow DJ, Moreland DW, Zhang L, Ahn K, Ryder TR, Liu X, Rubin JR, Fahnoe K, Carroll RT, Dutta S, Fahnoe DC, Probert AW, Roof RL, Rafferty MF, Kostlan CR, Scholten JD, Hood M, Ren XD, Schielke GP, Su TZ, Taylor CP, Mistry A, McConnell P, Hasemann C, Ohren J
Bioorg Med Chem Lett 16 2337-40 (2006)
PMID: 16143519

Function and Biology Details

Reaction catalysed: 
L-leucine + 2-oxoglutarate = 4-methyl-2-oxopentanoate + 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-157075 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Branched-chain-amino-acid aminotransferase, cytosolic Chains: A, D, G, J
Molecule details ›
Chains: A, D, G, J
Length: 366 amino acids
Theoretical weight: 41.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54687 (Residues: 21-386; Coverage: 95%)
Gene names: BCAT1, BCT1, ECA39
Sequence domains: Amino-transferase class IV
Structure domains:

Ligands and Environments


Cofactor: Ligand PLP 4 x PLP
1 bound ligand:
Ligand CBC 4 x CBC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 110.327Å b: 114.517Å c: 148.869Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.205 0.257
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Toxic Metabolites and Inborn Errors of Amino Acid Metabolism: What One Informs about the Other.
Lee et al. (2022)
11 other articles

1 mention without citation

Improvement of Fusel Alcohol Production by Engineering of the Yeast Branched-Chain Amino Acid Aminotransaminase.
Koonthongkaew et al. (2022)