4HCT
Crystal structure of ITK in complex with compound 52
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase ITK/TSK | polymer | 269 | 30649.0 | 1 | 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 | B (A) | 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide | non-polymer | 523.6 | 1 | Chemie (18R) | |||
| 3 | C (A) | water | water | 18.0 | 208 | Chemie (HOH) |
Sequence modifications
A: 354 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Gly 352 | - | expression tag |
| Ser 353 | - | expression tag |
| Arg 596 | Lys 596 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30649.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 523.6 | |
| All* | Total formula weight | 31172.6 |
