4CT1
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 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 | 35370.6 | 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) | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid | non-polymer | 362.8 | 1 | Chemie (31S) | |||
| 4 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | E (A) | DITHIANE DIOL | non-polymer | 152.2 | 1 | Chemie (DTD) | |||
| 6 | F (A) | water | water | 18.0 | 233 | Chemie (HOH) |
Sequence modifications
A: 50 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 49 | - | expression tag |
| Val 113 | Leu 113 | engineered mutation |
| Val 118 | Ile 118 | engineered mutation |
| His 119 | Ile 119 | engineered mutation |
| Ile 124 | Val 124 | engineered mutation |
| Gln 128 | Thr 128 | engineered mutation |
| Lys 131 | Arg 131 | engineered mutation |
| Cys 148 | Thr 148 | engineered mutation |
| Leu 157 | Phe 157 | engineered mutation |
| 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 | 35370.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1100.4 | |
| All* | Total formula weight | 36471.0 |
