4AW0
Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 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 | 35468.7 | 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-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid | non-polymer | 346.8 | 1 | Chemie (MJF) | |||
| 4 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | E, F (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | G (A) | DITHIANE DIOL | non-polymer | 152.2 | 1 | Chemie (DTD) | |||
| 7 | H (A) | water | water | 18.0 | 227 | 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 | 35468.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1132.9 | |
| All* | Total formula weight | 36601.6 |
