5BQ0
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
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 | 32680.5 | 1 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | B (A) | 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide | non-polymer | 446.9 | 1 | Chemie (4US) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 5 | F (A) | water | water | 18.0 | 301 | 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 |
| Gly 380 | - | expression tag |
| Ser 381 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32680.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 649.2 | |
| All* | Total formula weight | 33329.7 |
