4NWM
Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide
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 | 263 | 30840.5 | 2 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (human) | Agammaglobulinemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK, Bruton tyrosine kinase |
| 2 | C, D (A, B) | 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide | non-polymer | 589.7 | 2 | Chemie (2P5) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B: 396 - 657 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Met 395 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 61681.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1179.4 | |
| All* | Total formula weight | 62860.4 |
