3ZC6
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | TYROSINE-PROTEIN KINASE JAK3 | polymer | 288 | 32973.5 | 4 | UniProt (P52333) Pfam (PF07714) | HOMO SAPIENS (HUMAN) | JANUS KINASE 3, JAK-3, LEUKOCYTE JANUS KINASE, L-JAK |
| 2 | E, J, M, O (A, B, C, D) | N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide | non-polymer | 446.4 | 4 | Chemie (VFC) | |||
| 3 | F, L (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 4 | G, H, I, P (A, D) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | K, N (B, C) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 6 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 384 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 813 - 1100 (UniProt: P52333)
| PDB | External Database | Details |
|---|---|---|
| Ser 1040 | Cys 1040 | engineered mutation |
| Ser 1048 | Cys 1048 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 131894.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2528.3 | |
| All* | Total formula weight | 134422.3 |
