3RWQ
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3-phosphoinositide-dependent protein kinase 1 | polymer | 311 | 35555.7 | 1 | UniProt (O15530) Pfam (PF00069) In PDB | Homo sapiens (human) | hPDK1 |
| 2 | A | [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone | non-polymer | 402.5 | 1 | Chemie (3RW) | |||
| 3 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | A | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 5 | water | water | 18.0 | 71 | Chemie (HOH) |
Sequence modifications
A: 51 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 49 | - | EXPRESSION TAG |
| Ala 50 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35555.7 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1351.2 | |
| All* | Total formula weight | 36906.9 |
