› 2a1h

X-ray diffraction
1.8Å resolution

X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin

Released:
DOI: 10.2210/pdb2a1h/pdb
PDB entry 2a1h coloured by chain, front view.
PDB entry 2a1h coloured by chain, side view.
PDB entry 2a1h 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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127454 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Branched-chain-amino-acid aminotransferase, mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 365 amino acids
Theoretical weight: 41.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O15382 (Residues: 28-392; Coverage: 93%)
Gene names: BCAT2, BCATM, BCT2, ECA40
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 ACY 1 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 58.823Å b: 109.369Å c: 59.252Å
α: 90° β: 96.73° γ: 90°
R-values:
R R work R free
0.208 0.208 0.232
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

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

3 mentions without citation

Relating the shape of protein binding sites to binding affinity profiles: is there an association?
Simon et al. (2010)
2 more