› 4l2y

X-ray diffraction
2.8Å resolution

Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d

Released:
DOI: 10.2210/pdb4l2y/pdb
PDB entry 4l2y coloured by chain, front view.
PDB entry 4l2y coloured by chain, side view.
PDB entry 4l2y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal Structures of PI3Kα Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
Zhao Y, Zhang X, Chen Y, Lu S, Peng Y, Wang X, Guo C, Zhou A, Zhang J, Luo Y, Shen Q, Ding J, Meng L, Zhang J
ACS Med Chem Lett 5 138-42 (2014)
PMID: 24900786

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 + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151133 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Chain: A
Molecule details ›
Chain: A
Length: 1068 amino acids
Theoretical weight: 124.45 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P42336 (Residues: 1-1068; Coverage: 100%)
Gene name: PIK3CA
Sequence domains:
Structure domains:
Phosphatidylinositol 3-kinase regulatory subunit alpha Chain: B
Molecule details ›
Chain: B
Length: 324 amino acids
Theoretical weight: 39.05 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27986 (Residues: 318-615; Coverage: 41%)
Gene names: GRB1, PIK3R1
Sequence domains:
Structure domains: Helix Hairpins

Ligands and Environments

3 bound ligands:
Ligand XXK 1 x XXK
Ligand SO4 2 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 70.94Å b: 136.971Å c: 150.484Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.215 0.27
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

The multifunctional role of phospho-calmodulin in pathophysiological processes.
Villalobo A. (2018)
27 other articles

14 mentions without citation

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