› 4ra4

X-ray diffraction
2.63Å resolution

Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)

Released:
DOI: 10.2210/pdb4ra4/pdb
PDB entry 4ra4 coloured by chain, front view.
PDB entry 4ra4 coloured by chain, side view.
PDB entry 4ra4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimized protein kinase Cθ (PKCθ) inhibitors reveal only modest anti-inflammatory efficacy in a rodent model of arthritis.
George DM, Breinlinger EC, Argiriadi MA, Zhang Y, Wang J, Bansal-Pakala P, Duignan DB, Honore P, Lang Q, Mittelstadt S, Rundell L, Schwartz A, Sun J, Edmunds JJ
J Med Chem 58 333-46 (2015)
PMID: 25254961

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147902 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein kinase C alpha type Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 40.85 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P17252 (Residues: 318-672; Coverage: 53%)
Gene names: PKCA, PRKACA, PRKCA
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3KZ 1 x 3KZ
2 modified residues:
Ligand TPO 2 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 112.412Å b: 44.468Å c: 85.502Å
α: 90° β: 114.72° γ: 90°
R-values:
R R work R free
0.19 0.186 0.264
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Dynamics and Membrane Interactions of Protein Kinase C.
Igumenova TI. (2015)
7 other articles

21 mentions without citation

Tetrandrine, an Activator of Autophagy, Induces Autophagic Cell Death via PKC-α Inhibition and mTOR-Dependent Mechanisms.
Wong et al. (2017)
20 more