3OTU
PDK1 mutant bound to allosteric disulfide fragment activator JS30
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 | 316 | 36177.5 | 1 | UniProt (O15530) Pfam (PF00069) In PDB | Homo sapiens (human) | hPDK1 |
| 2 | A | 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol | non-polymer | 328.5 | 1 | Chemie (J30) | |||
| 3 | A | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE | non-polymer | 438.5 | 1 | Chemie (BI4) | |||
| 4 | A | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 5 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | water | water | 18.0 | 84 | Chemie (HOH) |
Sequence modifications
A: 51 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 44 | - | expression tag |
| Ala 45 | - | expression tag |
| Met 46 | - | expression tag |
| Asp 47 | - | expression tag |
| Pro 48 | - | expression tag |
| Glu 49 | - | expression tag |
| Phe 50 | - | expression tag |
| Cys 148 | Thr 148 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36177.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1606.4 | |
| All* | Total formula weight | 37783.9 |
