X-ray diffraction
2Å resolution

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


Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
[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
  • Canonical: Q15118 (Residues: 30-436; Coverage: 93%)
Gene names: PDHK1, PDK1
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
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 R work R free
0.232 0.23 0.277
Expression system: Escherichia coli BL21