PDBe 2gu8

X-ray diffraction
2.2Å resolution

Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
inhibitor of CAMP-dependent protein kinase Chain: C
Molecule details ›
Chain: C
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Synthetic construct
Expression system: Not provided
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 337 amino acids
Theoretical weight: 39.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P17612 (Residues: 15-351; Coverage: 96%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:

2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 72.72Å b: 75.165Å c: 79.844Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.203 0.261
Expression systems:
  • Not provided
  • Escherichia coli