› 5f9e

X-ray diffraction
2Å resolution

Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one

Released:
DOI: 10.2210/pdb5f9e/pdb
PDB entry 5f9e coloured by chain, front view.
PDB entry 5f9e coloured by chain, side view.
PDB entry 5f9e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKCθ inhibitors.
Katoh T, Takai T, Yukawa T, Tsukamoto T, Watanabe E, Mototani H, Arita T, Hayashi H, Nakagawa H, Klein MG, Zou H, Sang BC, Snell G, Nakada Y
Bioorg Med Chem 24 2466-75 (2016)
PMID: 27117263

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-170067 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein kinase C theta type Chains: A, B
Molecule details ›
Chains: A, B
Length: 353 amino acids
Theoretical weight: 41.96 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q04759 (Residues: 361-706; Coverage: 49%)
Gene names: PRKCQ, PRKCT
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5VS 2 x 5VS
1 modified residue:
Ligand SEP 4 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 75.603Å b: 76.786Å c: 149.304Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.233
Expression system: unidentified baculovirus

Quick links

Citations

2 review citations

Protein kinase C in fungi-more than just cell wall integrity.
Heinisch et al. (2018)
1 more

3 mentions without citation

Potential of Curcumin in Skin Disorders.
Vollono et al. (2019)
2 more