› 2coi

X-ray diffraction
1.9Å resolution

Crystal structure of oxidized human cytosolic branched-chain aminotransferase complexed with gabapentin

Released:
DOI: 10.2210/pdb2coi/pdb
PDB entry 2coi coloured by chain, front view.
PDB entry 2coi coloured by chain, side view.
PDB entry 2coi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin.
Goto M, Miyahara I, Hirotsu K, Conway M, Yennawar N, Islam MM, Hutson SM
J Biol Chem 280 37246-56 (2005)
PMID: 16141215

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, B
Molecule details ›
Chains: A, B
Length: 386 amino acids
Theoretical weight: 43.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54687 (Residues: 1-386; Coverage: 100%)
Gene names: BCAT1, BCT1, ECA39
Sequence domains: Amino-transferase class IV
Structure domains:

Ligands and Environments


Cofactor: Ligand PLP 2 x PLP
2 bound ligands:
Ligand GBN 2 x GBN
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-18B
Spacegroup: P212121
Unit cell:
a: 66.72Å b: 107.69Å c: 110.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.272
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Drugs, their targets and the nature and number of drug targets.
Imming et al. (2006)
10 more