3FUP
Crystal structures of JAK1 and JAK2 inhibitor complexes
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Tyrosine-protein kinase JAK2 | polymer | 293 | 34592.4 | 2 | UniProt (O60674) Pfam (PF07714) | Homo sapiens (human) | Janus kinase 2, JAK-2 |
| 2 | C, D (A, B) | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | non-polymer | 312.4 | 2 | Chemie (MI1) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 135 | Chemie (HOH) |
Sequence modifications
A, B: 840 - 1132 (UniProt: O60674)
| PDB | External Database | Details |
|---|---|---|
| Gln 1129 | Asn 1129 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 69184.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 624.7 | |
| All* | Total formula weight | 69809.5 |
