› 2q8f

X-ray diffraction
2.03Å resolution

Structure of pyruvate dehydrogenase kinase isoform 1

Released:
DOI: 10.2210/pdb2q8f/pdb
PDB entry 2q8f coloured by chain, front view.
PDB entry 2q8f coloured by chain, side view.
PDB entry 2q8f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Distinct structural mechanisms for inhibition of pyruvate dehydrogenase kinase isoforms by AZD7545, dichloroacetate, and radicicol.
Kato M, Li J, Chuang JL, Chuang DT
Structure 15 992-1004 (2007)
PMID: 17683942

Function and Biology Details

Reaction catalysed: 
ATP + [pyruvate dehydrogenase (acetyl-transferring)] = ADP + [pyruvate dehydrogenase (acetyl-transferring)] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 407 amino acids
Theoretical weight: 46.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q15118 (Residues: 30-436; Coverage: 93%)
Gene names: PDHK1, PDK1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P41212
Unit cell:
a: 98.19Å b: 98.19Å c: 110.403Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.212
Expression system: Escherichia coli BL21

Quick links

Citations

26 review citations

Targeting cellular metabolism to improve cancer therapeutics.
Zhao et al. (2013)
25 more

9 mentions without citation

Distinct structural mechanisms for inhibition of pyruvate dehydrogenase kinase isoforms by AZD7545, dichloroacetate, and radicicol.
Kato et al. (2007)
8 more