› 5vlr

X-ray diffraction
2.8Å resolution

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:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126247 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Chain: A
Molecule details ›
Chain: A
Length: 1013 amino acids
Theoretical weight: 115.96 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: O00329 (Residues: 17-1029; Coverage: 97%)
Gene name: PIK3CD
Sequence domains:
Phosphatidylinositol 3-kinase regulatory subunit alpha Chain: B
Molecule details ›
Chain: B
Length: 170 amino acids
Theoretical weight: 20.99 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P27986 (Residues: 431-600; Coverage: 24%)
Gene names: GRB1, PIK3R1
Sequence domains: Phosphatidylinositol 3-kinase regulatory subunit P85 inter-SH2 domain

Ligands and Environments

1 bound ligand:
Ligand 9EM 1 x 9EM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 90.847Å b: 108.579Å c: 142.734Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.208 0.279
Expression system: unidentified baculovirus

Quick links

Citations

1 review citation

4-Aminopyrazolopyrimidine scaffold and its deformation in the design of tyrosine and serine/threonine kinase inhibitors in medicinal chemistry.
Chen et al. (2022)
1 other article

3 mentions without citation

Structural Determinants of Isoform Selectivity in PI3K Inhibitors.
Miller et al. (2019)
2 more