4RQK
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
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 | 35392.6 | 1 | UniProt (O15530) Pfam (PF00069) | Homo sapiens (human) | hPDK1 |
| 2 | B, C (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 3 | D (A) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
| 4 | E (A) | N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide | non-polymer | 380.9 | 1 | Chemie (R1S) | |||
| 5 | F (A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 6 | G (A) | water | water | 18.0 | 280 | Chemie (HOH) |
Sequence modifications
A: 50 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 49 | - | expression tag |
| Gly 288 | Tyr 288 | engineered mutation |
| Ala 292 | Gln 292 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35392.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1310.6 | |
| All* | Total formula weight | 36703.1 |
