3RWP
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 (A) | 3-phosphoinositide-dependent protein kinase 1 | polymer | 311 | 35611.8 | 1 | UniProt (O15530) Pfam (PF00069) | Homo sapiens (human) | hPDK1 |
| 2 | B, C, D, K (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 3 | E, F, G, H, I... (A) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | L (A) | [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone | non-polymer | 461.5 | 1 | Chemie (ABQ) | |||
| 5 | M (A) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A: 51 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Ala 49 | - | expression tag |
| Leu 50 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35611.8 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1406.2 | |
| All* | Total formula weight | 37018.1 |
