› 2q8h

X-ray diffraction
2Å resolution

Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA)

Released:
DOI: 10.2210/pdb2q8h/pdb
PDB entry 2q8h coloured by chain, front view.
PDB entry 2q8h coloured by chain, side view.
PDB entry 2q8h 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

2 bound ligands:
Ligand K 1 x K
Ligand TF4 1 x TF4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P41212
Unit cell:
a: 98.323Å b: 98.323Å c: 110.559Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.23 0.277
Expression system: Escherichia coli BL21

Quick links

Citations

25 review citations

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

6 mentions without citation

Targeting Tumor Metabolism for Cancer Treatment: Is Pyruvate Dehydrogenase Kinases (PDKs) a Viable Anticancer Target?
Zhang et al. (2015)
5 more