› 5m4k

X-ray diffraction
2.6Å resolution

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172221 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 408 amino acids
Theoretical weight: 46.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15119 (Residues: 1-15, 16-407; Coverage: 100%)
Gene names: PDHK2, PDK2
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand TF3 1 x TF3
Ligand 7F9 1 x 7F9
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P64
Unit cell:
a: 108.092Å b: 108.092Å c: 84.441Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.212 0.273
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Five Years of the KNIME Vernalis Cheminformatics Community Contribution.
Roughley SD. (2020)
7 other articles