PDBe 3ml8

X-ray diffraction
2.7Å resolution

Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design


Function and Biology Details

Reactions catalysed:
ATP + 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate = ADP + 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate. 
ATP + a protein = ADP + a phosphoprotein. 
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 144.237Å b: 67.388Å c: 106.875Å
α: 90° β: 95.12° γ: 90°
R R work R free
0.25 0.246 0.324
Expression system: Spodoptera frugiperda