7PG6
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | polymer | 1068 | 124459.0 | 1 | UniProt (P42336) Pfam (PF02192) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | Homo sapiens (Human) | PI3-kinase subunit alpha,PI3K-alpha,PI3Kalpha,PtdIns-3-kinase subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha,PtdIns-3-kinase subunit p110-alpha,p110alpha,Phosphoinositide 3-kinase alpha,Phosphoinositide-3-kinase catalytic alpha polypeptide,Serine/threonine protein kinase PIK3CA |
| 2 | B (B) | Phosphatidylinositol 3-kinase regulatory subunit alpha | polymer | 287 | 34354.8 | 1 | UniProt (P27986) Pfam (PF00017) Pfam (PF16454) | Homo sapiens (Human) | PI3-kinase regulatory subunit alpha,PI3K regulatory subunit alpha,PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PI3-kinase subunit p85-alpha,PtdIns-3-kinase regulatory subunit p85-alpha |
| 3 | C (A) | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide | non-polymer | 441.5 | 1 | Chemie (1LT) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A: 1 - 1068 (UniProt: P42336)
| PDB | External Database | Details |
|---|---|---|
| Lys 232 | Met 232 | engineered mutation |
| Lys 233 | Leu 233 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 158813.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 464.5 | |
| All* | Total formula weight | 159278.3 |
