4AW1
Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket
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 (A) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
| 3 | C (A) | {(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid | non-polymer | 380.3 | 1 | Chemie (21O) | |||
| 4 | D, E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | F (A) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 6 | G, H (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 7 | I, J, K (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 8 | L (A) | water | water | 18.0 | 145 | Chemie (HOH) |
Sequence modifications
A: 51 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 49 | - | expression tag |
| Ala 50 | - | 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 | 10 |
| Total formula weight | 1251.0 | |
| All* | Total formula weight | 36643.6 |
