3zim

X-ray diffraction
2.85Å resolution

Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha

Released:
Source organism: Homo sapiens
Entry authors: Nacht M, Qiao L, Sheets MP, Martin TS, Labenski M, Mazdiyasni H, Karp R, Zhu Z, Chaturvedi P, Bhavsar D, Niu D, Westlin W, Petter RC, Medikonda AP, Jestel A, Blaesse M, Singh J

Function and Biology Details

Reactions catalysed:
ATP + 1-phosphatidyl-1D-myo-inositol = ADP + 1-phosphatidyl-1D-myo-inositol 3-phosphate
ATP + a protein = ADP + a phosphoprotein
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
Macromolecule:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Chain: A

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 59.34Å b: 135.027Å c: 142.921Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.213 0.278
Expression system: Spodoptera frugiperda