8V8U
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12).
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | polymer | 1072 | 124810.4 | 2 | UniProt (P42336) Pfam (PF02192) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) In PDB | Homo sapiens (human) | |
| 2 | B, D | Phosphatidylinositol 3-kinase regulatory subunit alpha | polymer | 279 | 33667.0 | 2 | UniProt (P27986) Pfam (PF00017) Pfam (PF16454) In PDB | Homo sapiens (human) | PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PtdIns-3-kinase regulatory subunit p85-alpha |
| 3 | A, C | (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 | 2 | Chemie (1LT) | |||
| 4 | A, C | (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium | non-polymer | 431.5 | 2 | Chemie (YQB) | |||
| 5 | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 1068 (UniProt: P42336)
| PDB | External Database | Details |
|---|---|---|
| Ala -3 | - | expression tag |
| Met -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Arg 1047 | His 1047 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 316954.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1745.9 | |
| All* | Total formula weight | 318700.7 |
