8FLL
Crystal structure of BTK kinase domain in complex with pirtobrutinib
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 BTK | polymer | 273 | 31786.5 | 1 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | B (A) | pirtobrutinib | non-polymer | 479.4 | 1 | Chemie (Y7W) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | F (A) | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 6 | G (A) | water | water | 18.0 | 168 | Chemie (HOH) |
Sequence modifications
A: 389 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 387 | - | expression tag |
| Met 388 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31786.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 968.9 | |
| All* | Total formula weight | 32755.5 |
