3PIX
Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Tyrosine-protein kinase BTK | polymer | 274 | 31827.5 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (human) | Agammaglobulinaemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK, Bruton tyrosine kinase |
| 2 | A | 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one | non-polymer | 381.5 | 1 | Chemie (027) | |||
| 3 | water | water | 18.0 | 148 | 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 | 1 |
| Total formula weight | 381.5 | |
| All* | Total formula weight | 32209.0 |
