7APG
Crystal structure of JAK3 in complex with FM587 (compound 9a)
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 | 294 | 33417.3 | 4 | UniProt (P52333) Pfam (PF07714) | Homo sapiens (Human) | Janus kinase 3,JAK-3,Leukocyte janus kinase,L-JAK |
| 2 | E, J, P, W (A, B, C, D) | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide | non-polymer | 265.3 | 4 | Chemie (RQT) | |||
| 3 | F, K, Q, X (A, B, C, D) | 1-phenylurea | non-polymer | 136.2 | 4 | Chemie (PHU) | |||
| 4 | AA, BA, CA, DA, G... (D, A, B, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 18 | Chemie (EDO) | |||
| 5 | EA, FA, GA, HA (A, B, C, D) | water | water | 18.0 | 337 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 812 - 1103 (UniProt: P52333)
| PDB | External Database | Details |
|---|---|---|
| Ser 810 | - | expression tag |
| Met 811 | - | expression tag |
| Ala 949 | Asp 949 | conflict |
| Ser 1040 | Cys 1040 | conflict |
| Ser 1048 | Cys 1048 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 133669.1 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2723.1 | |
| All* | Total formula weight | 136392.2 |
