3LXL
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
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 JAK3 | polymer | 327 | 37193.4 | 1 | UniProt (P52333) Pfam (PF07714) | Homo sapiens (human) | Janus kinase 3, JAK-3, Leukocyte janus kinase, L-JAK |
| 2 | B (A) | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE | non-polymer | 309.3 | 1 | Chemie (IZA) | |||
| 3 | C (A) | water | water | 18.0 | 289 | Chemie (HOH) |
Sequence modifications
A: 806 - 1124 (UniProt: P52333)
| PDB | External Database | Details |
|---|---|---|
| Met 798 | - | expression tag |
| Gly 799 | - | expression tag |
| His 800 | - | expression tag |
| His 801 | - | expression tag |
| His 802 | - | expression tag |
| His 803 | - | expression tag |
| His 804 | - | expression tag |
| His 805 | - | expression tag |
| Ser 1048 | Cys 1048 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37193.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 309.3 | |
| All* | Total formula weight | 37502.7 |
