4BFR
Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | polymer | 952 | 108999.7 | 2 | UniProt (Q8BTI9) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | MUS MUSCULUS (HOUSE MOUSE) | PI3-KINASE SUBUNIT BETA, PI3K-BETA, PI3KBETA, PTDINS-3-KINASE SUBUNIT BETA, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE 110 KDA CATALYTIC SUBUNIT BETA, PTDINS-3-KINASE SUBUNIT P110-BETA, P110BETA |
| 2 | C, D (A, B) | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE | non-polymer | 354.4 | 2 | Chemie (J82) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 80 | Chemie (HOH) |
Sequence modifications
A, B: 114 - 1064 (UniProt: Q8BTI9)
| PDB | External Database | Details |
|---|---|---|
| Gly 113 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 217999.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 708.8 | |
| All* | Total formula weight | 218708.3 |
