› 3e88

X-ray diffraction
2.5Å resolution

Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors

Released:
DOI: 10.2210/pdb3e88/pdb
PDB entry 3e88 coloured by chain, front view.
PDB entry 3e88 coloured by chain, side view.
PDB entry 3e88 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Aminofurazans as potent inhibitors of AKT kinase.
Rouse MB, Seefeld MA, Leber JD, McNulty KC, Sun L, Miller WH, Zhang S, Minthorn EA, Concha NO, Choudhry AE, Schaber MD, Heerding DA
Bioorg Med Chem Lett 19 1508-11 (2009)
PMID: 19179070

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
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152088 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
RAC-beta serine/threonine-protein kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 335 amino acids
Theoretical weight: 39.07 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31751 (Residues: 146-480; Coverage: 70%)
Gene name: AKT2
Sequence domains:
Structure domains:
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

Ligands and Environments

1 bound ligand:
Ligand G96 2 x G96
1 modified residue:
Ligand TPO 4 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P32
Unit cell:
a: 116.885Å b: 116.885Å c: 45.115Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.232 0.23 0.273
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

2 review citations

The impact of GPCR structures on pharmacology and structure-based drug design.
Congreve et al. (2010)
1 more

7 mentions without citation

Computer-Aided Identification of Kinase-Targeted Small Molecules for Cancer: A Review on AKT Protein.
Primavera et al. (2023)
6 more