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X-ray diffraction
2.25Å resolution

Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase

Released:
DOI: 10.2210/pdb1olx/pdb
PDB entry 1olx coloured by chain, front view.
PDB entry 1olx coloured by chain, side view.
PDB entry 1olx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase: refined phosphorylation loop structure in the active site.
Wynn RM, Machius M, Chuang JL, Li J, Tomchick DR, Chuang DT
J Biol Chem 278 43402-10 (2003)
PMID: 12902323

Function and Biology Details

Reaction catalysed: 
3-methyl-2-oxobutanoate + [dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] lipoyllysine = [dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146300 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 400 amino acids
Theoretical weight: 45.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P12694 (Residues: 46-445; Coverage: 90%)
Gene name: BCKDHA
Sequence domains: Dehydrogenase E1 component
Structure domains: Rossmann fold
2-oxoisovalerate dehydrogenase subunit beta, mitochondrial Chain: B
Molecule details ›
Chain: B
Length: 342 amino acids
Theoretical weight: 37.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P21953 (Residues: 51-392; Coverage: 87%)
Gene name: BCKDHB
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand TPP 1 x TPP
3 bound ligands:
Ligand K 2 x K
Ligand MN 1 x MN
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P3121
Unit cell:
a: 145.216Å b: 145.216Å c: 69.521Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.161 0.161 0.214
Expression system: Escherichia coli

Quick links

Citations

10 citation in other articles

Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock.
Bikadi et al. (2009)
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