3V5J
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
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 ITK/TSK | polymer | 266 | 30248.6 | 2 | UniProt (Q08881) Pfam (PF07714) | Homo sapiens (human) | Interleukin-2-inducible T cell kinase, IL-2-inducible T cell kinase, Kinase EMT, T-cell-specific kinase, Tyrosine-protein kinase Lyk |
| 2 | C, E (A, B) | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol | non-polymer | 454.6 | 2 | Chemie (0F2) | |||
| 3 | D, F (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 54 | Chemie (HOH) |
Sequence modifications
A, B: 357 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Gly 355 | - | expression tag |
| Ser 356 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 60497.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1101.3 | |
| All* | Total formula weight | 61598.4 |
