4KIO
Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor
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 ITK/TSK | polymer | 266 | 30214.5 | 4 | 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 | E, F, H (A, B, C) | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one | non-polymer | 466.6 | 3 | Chemie (G5K) | |||
| 3 | G, L (C, D) | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one | non-polymer | 468.6 | 2 | Chemie (G6K) | |||
| 4 | I, J, M, N (C, D) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | K (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | O, P, Q, R (A, B, C, D) | water | water | 18.0 | 578 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 357 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Gly 355 | - | expression tag |
| Ser 356 | - | expression tag |
| Glu 512 | Tyr 512 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 120858.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2813.2 | |
| All* | Total formula weight | 123671.1 |
