4YTI
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase JAK2 | polymer | 296 | 34893.7 | 1 | UniProt (O60674) Pfam (PF07714) | Homo sapiens (Human) | Janus kinase 2,JAK-2 |
| 2 | B (A) | (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide | non-polymer | 392.4 | 1 | Chemie (VJK) | |||
| 3 | C (A) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 842 - 1132 (UniProt: O60674)
| PDB | External Database | Details |
|---|---|---|
| Gly 837 | - | expression tag |
| Ser 838 | - | expression tag |
| His 839 | - | expression tag |
| Asn 840 | - | expression tag |
| Met 841 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34893.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 392.4 | |
| All* | Total formula weight | 35286.1 |
