X-ray diffraction
2.54Å resolution

Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta

Source organism: Mus musculus
Entry authors: Robinson D, Bertrand T, Carry JC, Halley F, Karlsson A, Mathieu M, Minoux H, Perrin MA, Robert B, Schio L, Sherman W

Function and Biology Details

Reactions catalysed:
ATP + 1-phosphatidyl-1D-myo-inositol = ADP + 1-phosphatidyl-1D-myo-inositol 3-phosphate
ATP + 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate = ADP + 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Chains: A, B

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 62Å b: 216.43Å c: 76.97Å
α: 90° β: 113.29° γ: 90°
R R work R free
0.266 0.234 not available
Expression system: Spodoptera frugiperda