› 2uvz

X-ray diffraction
1.94Å resolution

Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine

Released:
DOI: 10.2210/pdb2uvz/pdb
PDB entry 2uvz coloured by chain, front view.
PDB entry 2uvz coloured by chain, side view.
PDB entry 2uvz coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-132590 (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: 40.91 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 GVJ 1 x GVJ
2 modified residues:
Ligand SEP 2 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 72.577Å b: 74.661Å c: 80.268Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.203 0.245
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

9 review citations

Structural biology in fragment-based drug design.
Murray et al. (2010)
8 more