6RSE
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Tyrosine-protein kinase JAK1 | polymer | 302 | 34746.6 | 2 | UniProt (P23458) Pfam (PF07714) In PDB | Homo sapiens (Human) | Janus kinase 1,JAK-1 |
| 2 | A, B | methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate | non-polymer | 474.5 | 2 | Chemie (KHH) | |||
| 3 | water | water | 18.0 | 310 | Chemie (HOH) |
Sequence modifications
A, B: 854 - 1154 (UniProt: P23458)
| PDB | External Database | Details |
|---|---|---|
| Gly 853 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 69493.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 948.9 | |
| All* | Total formula weight | 70442.1 |
