4UWK
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | polymer | 601 | 68597.4 | 1 | UniProt (Q8NEB9) Pfam (PF00613) Pfam (PF00454) In PDB | HOMO SAPIENS (HUMAN) | PI3-KINASE TYPE 3, PI3K TYPE 3, PTDINS-3-KINASE TYPE 3, PHO SPHATIDYLINOSITOL 3-KINASE P100 SUBUNIT, PHOSPHOINOSITIDE-3-KINASE CLASS 3, HVPS34, PHOSPHOINOSITIDE 3-KINASE |
| 2 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | A | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one | non-polymer | 462.9 | 1 | Chemie (UJB) | |||
| 5 | water | water | 18.0 | 29 | Chemie (HOH) |
Sequence modifications
A: 282 - 879 (UniProt: Q8NEB9)
| PDB | External Database | Details |
|---|---|---|
| Gly 279 | - | expression tag |
| Ala 280 | - | expression tag |
| Met 281 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68597.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 651.1 | |
| All* | Total formula weight | 69248.5 |
