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CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE

X-ray diffraction
2.83Å resolution
PDB entry 5ubt coloured by chain, front view.
PDB entry 5ubt coloured by chain, side view.
PDB entry 5ubt coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Phosphatidylinositol 3-kinase complex class IA, p110delta/p55alpha
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Multimeric state: hetero dimer
Accessible surface area: 50909.22 Å2
Buried surface area: 4189.82 Å2
Dissociation area: 2,094.91 Å2
Dissociation energy (ΔGdiss): 16.37 kcal/mol
Dissociation entropy (TΔSdiss): 14.11 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-126247
Complex Portal ID: CPX-5984

Macromolecules

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
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
Pfam:
InterPro:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform in PDB entry 5ubt, assembly 1, front view.
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform in PDB entry 5ubt, assembly 1, side view.
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform in PDB entry 5ubt, assembly 1, top view.
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Phosphatidylinositol 3-kinase regulatory subunit alpha
Chain: B
Length: 168 amino acids
Theoretical weight: 20.72 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P27986 (Residues: 432-599; Coverage: 23%)
Gene names: GRB1, PIK3R1
Pfam: Phosphatidylinositol 3-kinase regulatory subunit P85 inter-SH2 domain
InterPro:
Phosphatidylinositol 3-kinase regulatory subunit alpha in PDB entry 5ubt, assembly 1, front view.
Phosphatidylinositol 3-kinase regulatory subunit alpha in PDB entry 5ubt, assembly 1, side view.
Phosphatidylinositol 3-kinase regulatory subunit alpha in PDB entry 5ubt, assembly 1, top view.
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