› 6ccy

X-ray diffraction
2.18Å resolution

Crystal structure of Akt1 in complex with a selective inhibitor

Released:
DOI: 10.2210/pdb6ccy/pdb
PDB entry 6ccy coloured by chain, front view.
PDB entry 6ccy coloured by chain, side view.
PDB entry 6ccy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Parthasarathy S, Henry K, Pei H, Clayton J, Rempala M, Johns D, De Frutos O, Garcia P, Mateos C, Pleite S, Wang Y, Stout S, Condon B, Ashok S, Lu Z, Ehlhardt W, Raub T, Lai M, Geeganage S, Burkholder TP
Bioorg Med Chem Lett 28 1887-1891 (2018)
PMID: 29655979

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152080 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
RAC-alpha serine/threonine-protein kinase; Serine/threonine-protein kinase N2 Chain: A
Molecule details ›
Chain: A
Length: 343 amino acids
Theoretical weight: 39.96 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31749 (Residues: 144-466; Coverage: 67%)
  • Canonical: Q16513 (Residues: 969-983; Coverage: 2%)
Gene names: AKT1, PKB, PKN2, PRK2, PRKCL2, RAC
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand EX4 1 x EX4
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 49.664Å b: 66.961Å c: 109.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.235 0.276
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Pyrido[2,3-d]pyrimidin-7(8H)-ones: Synthesis and Biomedical Applications.
Jubete et al. (2019)
1 other article

9 mentions without citation

Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers.
Nussinov et al. (2019)
8 more