3MIY
X-ray crystal structure of ITK complexed with sunitinib
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 | 30116.4 | 2 | UniProt (Q08881) Pfam (PF07714) | Homo sapiens (human) | T-cell-specific kinase, Tyrosine-protein kinase Lyk, Kinase EMT |
| 2 | C, D (A, B) | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | non-polymer | 398.5 | 2 | Chemie (B49) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 307 | Chemie (HOH) |
Sequence modifications
A, B: 357 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Gly 355 | - | expression tag |
| Ser 356 | - | expression tag |
| Ser 477 | Cys 477 | engineered mutation |
| Ala 614 | Glu 614 | engineered mutation |
| Ala 617 | Glu 617 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 60232.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 796.9 | |
| All* | Total formula weight | 61029.8 |
