3T9T
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
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 ITK/TSK | polymer | 267 | 30458.8 | 1 | UniProt (Q08881) Pfam (PF07714) | Homo sapiens (human) | BTK, Bruton's Tyrosine Kinase, Kinase EMT, T-cell-specific kinase, Tyrosine-protein kinase Lyk |
| 2 | B (A) | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide | non-polymer | 432.5 | 1 | Chemie (IAQ) | |||
| 3 | C, D (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | E (A) | water | water | 18.0 | 114 | Chemie (HOH) |
Sequence modifications
A: 354 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Thr 435 | Phe 435 | engineered mutation |
| Arg 596 | Lys 596 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30458.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 616.7 | |
| All* | Total formula weight | 31075.5 |
