› 7jiu

X-ray diffraction
2.12Å resolution

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F

Released:
DOI: 10.2210/pdb7jiu/pdb
PDB entry 7jiu coloured by chain, front view.
PDB entry 7jiu coloured by chain, side view.
PDB entry 7jiu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Versatile Oxindoles as Selective PI3Kδ Inhibitors.
Methot JL, Achab A, Christopher M, Zhou H, McGowan MA, Trotter BW, Fradera X, Lesburg CA, Goldenblatt P, Hill A, Chen D, Otte KM, Augustin M, Shah S, Katz JD
ACS Med Chem Lett 11 2461-2469 (2020)
PMID: 33335668

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154615 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Chain: A
Molecule details ›
Chain: A
Length: 946 amino acids
Theoretical weight: 110.08 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P42336 (Residues: 107-1052; Coverage: 89%)
Gene name: PIK3CA
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand VBS 1 x VBS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 58.457Å b: 135.132Å c: 142.045Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.212 0.246
Expression system: Not provided

Quick links

Citations

2 citation in other articles

Base-editing mutagenesis maps alleles to tune human T cell functions.
Schmidt et al. (2024)
1 more

4 mentions without citation

Exploring the immunomodulatory effects and mechanisms of Xinjiang fermented camel milk-derived bioactive peptides based on network pharmacology and molecular docking.
Wang et al. (2022)
3 more