7N5O
Fragment-Based Discovery of a Novel Bruton's Tyrosine Kinase Inhibitor
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 | 283 | 32690.5 | 1 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | B (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 3 | C (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGO) | |||
| 4 | D (A) | 5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | non-polymer | 201.2 | 1 | Chemie (0BQ) | |||
| 5 | E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | F (A) | water | water | 18.0 | 297 | Chemie (HOH) |
Sequence modifications
A: 382 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 377 | - | expression tag |
| Pro 378 | - | expression tag |
| Leu 379 | - | expression tag |
| Pro 380 | - | expression tag |
| Gly 381 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32690.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 408.4 | |
| All* | Total formula weight | 33098.9 |
