PDBe 3ml9

X-ray diffraction
2.55Å 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: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 143.929Å b: 67.294Å c: 106.842Å
α: 90° β: 95.46° γ: 90°
R R work R free
0.247 0.242 0.298
Expression system: Spodoptera frugiperda