› 3bwj

X-ray diffraction
2.3Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034

Released:
DOI: 10.2210/pdb3bwj/pdb
PDB 3bwj coloured by chain and viewed from the front.
PDB 3bwj coloured by chain and viewed from the side.
PDB 3bwj coloured by chain and viewed from the top.
Source organism: Bos taurus
Primary publication:
Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
Lavogina D, Lust M, Viil I, König N, Raidaru G, Rogozina J, Enkvist E, Uri A, Bossemeyer D
J Med Chem 52 308-21 (2009)
PMID: 19143565

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 350 amino acids
Theoretical weight: 40.79 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00517 (Residues: 2-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ARX 2 x ARX
2 modified residues:
Ligand SEP 2 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P212121
Unit cell:
a: 71.188Å b: 72.632Å c: 77.221Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.199 0.249
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Therapeutic potential of adenosine analogues and conjugates.
Samsel et al. (2011)
1 more

1 mention without citation

Protein kinase-inhibitor database: structural variability of and inhibitor interactions with the protein kinase P-loop.
Patel et al. (2010)