› 2uvx

X-ray diffraction
2Å resolution

Structure of PKA-PKB chimera complexed with 7-azaindole

Released:
DOI: 10.2210/pdb2uvx/pdb
PDB 2uvx coloured by chain and viewed from the front.
PDB 2uvx coloured by chain and viewed from the side.
PDB 2uvx coloured by chain and viewed from the top.
Source organisms:
Primary publication:
Rapid evolution of 6-phenylpurine inhibitors of protein kinase B through structure-based design.
Donald A, McHardy T, Rowlands MG, Hunter LJ, Davies TG, Berdini V, Boyle RG, Aherne GW, Garrett MD, Collins I
J. Med. Chem. 50 2289-92 (2007)
PMID: 17451235

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:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 351 amino acids
Theoretical weight: 40.83 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:
cAMP-dependent protein kinase inhibitor alpha Chain: I
Molecule details ›
Chain: I
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P61925 (Residues: 6-25; Coverage: 26%)
Gene names: PKIA, PRKACN1

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 72.537Å b: 74.4Å c: 79.869Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.172 0.237
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

7 review citations

In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.
de Souza Neto et al. (2020)
6 more

2 mentions without citation

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
1 more