3SC1
Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery
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 | 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one | non-polymer | 251.3 | 1 | Chemie (3S1) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A: 50 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 49 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35555.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 819.7 | |
| All* | Total formula weight | 36375.5 |
