3r7r

X-ray diffraction
2.9Å resolution

Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase

Released:

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
ATP + 1-phosphatidyl-1D-myo-inositol 4-phosphate = ADP + 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-155801 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Chain: A

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2, null
Spacegroup: C2
Unit cell:
a: 143.792Å b: 67.868Å c: 106.933Å
α: 90° β: 95.4° γ: 90°
R-values:
R R work R free
0.209 0.207 0.253
Expression system: Spodoptera frugiperda