› 2beu

X-ray diffraction
1.89Å resolution

Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch

Released:
DOI: 10.2210/pdb2beu/pdb
PDB entry 2beu coloured by chain, front view.
PDB entry 2beu coloured by chain, side view.
PDB entry 2beu coloured by chain, top view.
Source organisms:
Primary publication:
A versatile conformational switch regulates reactivity in human branched-chain alpha-ketoacid dehydrogenase.
Machius M, Wynn RM, Chuang JL, Li J, Kluger R, Yu D, Tomchick DR, Brautigam CA, Chuang DT
Structure 14 287-98 (2006)
PMID: 16472748

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 hexamer (preferred)
PDBe Complex ID:
PDB-CPX-146301 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 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 BL21
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: 37.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P21953 (Residues: 51-392; Coverage: 87%)
Gene name: BCKDHB
Sequence domains:
Structure domains:
PEPTIDE ALA-TYR-ARG Chain: C
Molecule details ›
Chain: C
Length: 3 amino acids
Theoretical weight: 409 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments


Cofactor: Ligand THV 1 x THV
5 bound ligands:
Ligand CL 2 x CL
Ligand K 2 x K
Ligand MN 1 x MN
Ligand SO4 1 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P3121
Unit cell:
a: 145.789Å b: 145.789Å c: 69.525Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.17 0.211
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

7 review citations

Lipoic acid metabolism and mitochondrial redox regulation.
Solmonson et al. (2018)
6 more