6TPD
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
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 | 289 | 33955.9 | 1 | UniProt (O60674) Pfam (PF07714) | Homo sapiens (Human) | Janus kinase 2,JAK-2 |
| 2 | B (A) | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one | non-polymer | 225.2 | 1 | Chemie (QZ8) | |||
| 3 | C (A) | water | water | 18.0 | 120 | Chemie (HOH) |
Sequence modifications
A: 842 - 1130 (UniProt: O60674)
| PDB | External Database | Details |
|---|---|---|
| Phe 1007 | Tyr 1007 | conflict |
| Phe 1008 | Tyr 1008 | conflict |
| Ser 1073 | Met 1073 | conflict |
| Thr 1076 | Phe 1076 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33955.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 225.2 | |
| All* | Total formula weight | 34181.1 |
