5LWN
Crystal structure of JAK3 in complex with Compound 5 (FM409)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Tyrosine-protein kinase JAK3 | polymer | 294 | 33417.3 | 1 | UniProt (P52333) Pfam (PF07714) In PDB | Homo sapiens (Human) | Janus kinase 3,JAK-3,Leukocyte janus kinase,L-JAK |
| 2 | A | 1-phenylurea | non-polymer | 136.2 | 1 | Chemie (PHU) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 4 | A | (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide | non-polymer | 442.5 | 1 | Chemie (79R) | |||
| 5 | A | (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide | non-polymer | 444.5 | 1 | Chemie (79S) | |||
| 6 | water | water | 18.0 | 194 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 33417.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1395.6 | |
| All* | Total formula weight | 34812.9 |
