4V0I
Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
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 SUBUNIT DELTA ISOFORM | polymer | 940 | 107823.7 | 2 | UniProt (O35904) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | MUS MUSCULUS (HOUSE MOUSE) | PI3-KINASE SUBUNIT DELTA, PI3K-DELTA, PI3KDELTA, PTDINS-3-KINASE SUBUNIT DELTA, PHOSPHATIDYLINOSITOL 4\,5-BISPHOSPHATE 3-KINASE 110 KDA CATALYTIC SUBUNIT DELTA, PTDINS-3-KINAS SUBUNIT P110-DELTA, P110DELTA |
| 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 | 140 | Chemie (HOH) |
Sequence modifications
A, B: 106 - 1044 (UniProt: O35904)
| PDB | External Database | Details |
|---|---|---|
| Gly 105 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 215647.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 708.8 | |
| All* | Total formula weight | 216356.1 |
