5L3A
Fragment-based discovery of 6-arylindazole JAK inhibitors
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 | 295 | 34530.5 | 1 | UniProt (O60674) Pfam (PF07714) | Homo sapiens (Human) | Janus kinase 2,JAK-2 |
| 2 | B (A) | ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide | non-polymer | 211.2 | 1 | Chemie (6DP) | |||
| 3 | C (A) | water | water | 18.0 | 45 | Chemie (HOH) |
Sequence modifications
A: 840 - 1132 (UniProt: O60674)
| PDB | External Database | Details |
|---|---|---|
| Gly 838 | - | expression tag |
| Ser 839 | - | expression tag |
| Phe 1007 | Tyr 1007 | engineered mutation |
| Phe 1008 | Tyr 1008 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34530.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 211.2 | |
| All* | Total formula weight | 34741.8 |
