› 5i5s

X-ray diffraction
2.06Å resolution

X-RAY CRYSTAL STRUCTURE AT 2.06A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BENZISOXAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.

Released:
DOI: 10.2210/pdb5i5s/pdb
PDB entry 5i5s coloured by chain, front view.
PDB entry 5i5s coloured by chain, side view.
PDB entry 5i5s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
Borthwick JA, Ancellin N, Bertrand SM, Bingham RP, Carter PS, Chung CW, Churcher I, Dodic N, Fournier C, Francis PL, Hobbs A, Jamieson C, Pickett SD, Smith SE, Somers DO, Spitzfaden C, Suckling CJ, Young RJ
J Med Chem 59 2452-67 (2016)
PMID: 26938474

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-127454 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Branched-chain-amino-acid aminotransferase, mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 369 amino acids
Theoretical weight: 41.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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
5 bound ligands:
Ligand NVU 2 x NVU
Ligand CL 4 x CL
Ligand EDO 10 x EDO
Ligand GOL 1 x GOL
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 68.852Å b: 105.985Å c: 107.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.171 0.226
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Enzymes involved in branched-chain amino acid metabolism in humans.
Adeva-Andany et al. (2017)
2 more