4Y95
Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop
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 | Non-specific protein-tyrosine kinase | polymer | 266 | 31044.7 | 4 | UniProt (Q3ZC95) Pfam (PF07714) In PDB | Bos taurus (Bovine) | |
| 2 | A, B, C, D | 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide | non-polymer | 579.7 | 4 | Chemie (746) | |||
| 3 | A, B, C, D | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 4 | A, B, C | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 3 | Chemie (BME) | |||
| 5 | B, C | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL | non-polymer | 354.4 | 2 | Chemie (PE4) | |||
| 6 | water | water | 18.0 | 968 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 395 - 659 (UniProt: Q3ZC95)
| PDB | External Database | Details |
|---|---|---|
| Ala 394 | - | expression tag |
| Met 542 | Leu 542 | engineered mutation |
| Thr 543 | Ser 543 | engineered mutation |
| Phe 545 | Tyr 545 | engineered mutation |
| Thr 555 | Val 555 | engineered mutation |
| Thr 557 | Ser 557 | engineered mutation |
| Lys 562 | Arg 562 | engineered mutation |
| Ala 564 | Ser 564 | engineered mutation |
| Ser 565 | Pro 565 | engineered mutation |
| Pro 617 | Tyr 617 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 124179.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 3998.8 | |
| All* | Total formula weight | 128177.7 |
