3RCJ
Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling TMS-deprotection CuAAC sequence
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) | 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine | non-polymer | 275.3 | 1 | Chemie (3RC) | |||
| 3 | C (A) | water | water | 18.0 | 152 | 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 | 1 |
| Total formula weight | 275.3 | |
| All* | Total formula weight | 35667.9 |
