PDBe 3ow4

X-ray diffraction
2.6Å resolution

Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors

Released:

Function and Biology Details

Reactions catalysed:
ATP + a protein = ADP + a phosphoprotein. 
ATP + [tau protein] = ADP + [tau protein] phosphate. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Glycogen synthase kinase-3 beta Chains: C, D
Molecule details ›
Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.12 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P49841 (Residues: 3-12; Coverage: 2%)
Gene name: GSK3B
RAC-alpha serine/threonine-protein kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 341 amino acids
Theoretical weight: 39.47 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31749 (Residues: 144-480; Coverage: 70%)
Gene names: AKT1, PKB, RAC
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P21
Unit cell:
a: 86.427Å b: 55.823Å c: 91.354Å
α: 90° β: 103.93° γ: 90°
R-values:
R R work R free
0.197 0.193 0.268
Expression systems:
  • Not provided
  • Spodoptera frugiperda