8W9A
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
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 | 124230.8 | 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 | 724 | 83710.3 | 1 | UniProt (P27986) Pfam (PF00620) 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) | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid | non-polymer | 490.9 | 1 | Chemie (UEX) | |||
| 4 | D (A) | water | water | 18.0 | 2 | Chemie (HOH) |
Sequence modifications
A: 1 - 1068 (UniProt: P42336)
| PDB | External Database | Details |
|---|---|---|
| Arg 1047 | His 1047 | variant |
| Ala 1057 | Trp 1057 | conflict |
| Ala 1058 | Ile 1058 | conflict |
| Ala 1059 | Phe 1059 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 207941.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 490.9 | |
| All* | Total formula weight | 208432.0 |
