6tn0

X-ray diffraction
1.9Å resolution

Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures

Released:
Model geometry
Fit model/data

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-172221 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial Chain: AAA
Molecule details ›
Chain: AAA
Length: 394 amino acids
Theoretical weight: 44.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15119 (Residues: 14-407; Coverage: 97%)
  • Best match: Q15119-2 (Residues: 1-343)
Gene names: PDHK2, PDK2
Sequence domains:

Ligands and Environments

No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P64
Unit cell:
a: 109.051Å b: 109.051Å c: 83.945Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.176 0.221
Expression system: Escherichia coli BL21(DE3)