› 2oh0

X-ray diffraction
2.2Å resolution

Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors

Released:
DOI: 10.2210/pdb2oh0/pdb
PDB entry 2oh0 coloured by chain, front view.
PDB entry 2oh0 coloured by chain, side view.
PDB entry 2oh0 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Zhu GD, Gong J, Gandhi VB, Woods K, Luo Y, Liu X, Guan R, Klinghofer V, Johnson EF, Stoll VS, Mamo M, Li Q, Rosenberg SH, Giranda VL
Bioorg Med Chem 15 2441-52 (2007)
PMID: 17258463

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132594 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: E
Molecule details ›
Chain: E
Length: 351 amino acids
Theoretical weight: 40.68 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00517 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:
Inhibitory peptide Chain: I
Molecule details ›
Chain: I
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Bos taurus
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 2PY 1 x 2PY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 72.492Å b: 74.854Å c: 80.165Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.273 0.273 0.32
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

15 citation in other articles

Palladium-catalyzed cascade C-H trifluoroethylation of aryl iodides and Heck reaction: efficient synthesis of ortho-trifluoroethylstyrenes.
Zhang et al. (2014)
14 more

1 mention without citation

Prediction of kinase-inhibitor binding affinity using energetic parameters.
Usha et al. (2016)