› 3tz0

X-ray diffraction
2.5Å resolution

Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex

Released:
DOI: 10.2210/pdb3tz0/pdb
PDB entry 3tz0 coloured by chain, front view.
PDB entry 3tz0 coloured by chain, side view.
PDB entry 3tz0 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain α-ketoacid dehydrogenase kinase.
Tso SC, Qi X, Gui WJ, Chuang JL, Morlock LK, Wallace AL, Ahmed K, Laxman S, Campeau PM, Lee BH, Hutson SM, Tu BP, Williams NS, Tambar UK, Wynn RM, Chuang DT
Proc Natl Acad Sci U S A 110 9728-33 (2013)
PMID: 23716694

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] = ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169495 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Branched-chain alpha-ketoacid dehydrogenase kinase Chain: A
Molecule details ›
Chain: A
Length: 418 amino acids
Theoretical weight: 47.37 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00972 (Residues: 1-412; Coverage: 100%)
Gene name: Bckdk
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 03H 1 x 03H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P42212
Unit cell:
a: 128.801Å b: 128.801Å c: 72.914Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.24
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Insulin action, type 2 diabetes, and branched-chain amino acids: A two-way street.
White et al. (2021)
10 more

2 mentions without citation

Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain α-ketoacid dehydrogenase kinase.
Tso et al. (2013)
1 more