› 3ocb

X-ray diffraction
2.7Å resolution

Akt1 kinase domain with pyrrolopyrimidine inhibitor

Released:
DOI: 10.2210/pdb3ocb/pdb
PDB entry 3ocb coloured by chain, front view.
PDB entry 3ocb coloured by chain, side view.
PDB entry 3ocb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of pyrrolopyrimidine inhibitors of Akt.
Blake JF, Kallan NC, Xiao D, Xu R, Bencsik JR, Skelton NJ, Spencer KL, Mitchell IS, Woessner RD, Gloor SL, Risom T, Gross SD, Martinson M, Morales TH, Vigers GP, Brandhuber BJ
Bioorg Med Chem Lett 20 5607-12 (2010)
PMID: 20810279

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152084 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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:
GSK 3 beta peptide 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

Ligands and Environments

1 bound ligand:
Ligand XM1 2 x XM1
1 modified residue:
Ligand TPO 2 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P21
Unit cell:
a: 86.265Å b: 56.013Å c: 91.65Å
α: 90° β: 104.27° γ: 90°
R-values:
R R work R free
0.217 0.214 0.282
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

2 review citations

Inhibition of Akt with small molecules and biologics: historical perspective and current status of the patent landscape.
Mattmann et al. (2011)
1 more

19 mentions without citation

Chemoresistance in breast cancer: PI3K/Akt pathway inhibitors vs the current chemotherapy.
Kaboli et al. (2021)
18 more