9EJJ
Bruton's tyrosine kinase in complex with compound PTI55
This is a non-PDB format compatible entry.
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 BTK | polymer | 279 | 32286.0 | 2 | UniProt (P35991) Pfam (PF07714) | Mus musculus (house mouse) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase,Kinase EMB |
| 2 | C, D (A, B) | 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide | non-polymer | 566.5 | 2 | Chemie (A1BIZ) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 399 | Chemie (HOH) |
Sequence modifications
A, B: 382 - 659 (UniProt: P35991)
| PDB | External Database | Details |
|---|---|---|
| Met 381 | - | initiating methionine |
| Gly 390 | Leu 390 | engineered mutation |
| Glu 551 | Tyr 551 | engineered mutation |
| Pro 617 | Tyr 617 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64572.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1133.1 | |
| All* | Total formula weight | 65705.1 |
