› 5xgi

X-ray diffraction
2.56Å resolution

Crystal structure of PI3K complex with an inhibitor

Released:
DOI: 10.2210/pdb5xgi/pdb
PDB entry 5xgi coloured by chain, front view.
PDB entry 5xgi coloured by chain, side view.
PDB entry 5xgi coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Song K, Yang X, Zhao Y, Jian Z

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: 1052 amino acids
Theoretical weight: 122.64 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P42336 (Residues: 8-1059; Coverage: 99%)
Gene name: PIK3CA
Sequence domains:
Phosphatidylinositol 3-kinase regulatory subunit alpha Chain: B
Molecule details ›
Chain: B
Length: 277 amino acids
Theoretical weight: 33.5 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27986 (Residues: 322-598; Coverage: 38%)
Gene names: GRB1, PIK3R1
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand 84R 1 x 84R
Ligand P6G 1 x P6G
Ligand SO4 3 x SO4
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 71.348Å b: 135.825Å c: 150.245Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.239 0.29
Expression system: Spodoptera frugiperda

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