3PJ1
Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
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 | 274 | 31827.5 | 1 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (human) | Agammaglobulinaemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK, Bruton tyrosine kinase |
| 2 | B, C (A) | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | non-polymer | 515.4 | 2 | Chemie (LHL) | |||
| 3 | D (A) | water | water | 18.0 | 174 | Chemie (HOH) |
Sequence modifications
A: 387 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 386 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31827.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1030.9 | |
| All* | Total formula weight | 32858.4 |
