5BPY
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, B | Tyrosine-protein kinase BTK | polymer | 267 | 31203.9 | 2 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | A, B | 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide | non-polymer | 584.7 | 2 | Chemie (4UQ) | |||
| 3 | water | water | 18.0 | 118 | Chemie (HOH) |
Sequence modifications
A, B: 396 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 393 | - | expression tag |
| His 394 | - | expression tag |
| Met 395 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 62407.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1169.4 | |
| All* | Total formula weight | 63577.2 |
