4OTQ
Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea
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 | 283 | 32521.1 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (human) | Agammaglobulinemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK, Bruton tyrosine kinase |
| 2 | A | 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea | non-polymer | 471.6 | 1 | Chemie (2V2) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | water | water | 18.0 | 259 | Chemie (HOH) |
Sequence modifications
A: 378 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 377 | - | expression tag |
| Ala 489 | Met 489 | engineered mutation |
| Ala 492 | Arg 492 | engineered mutation |
| Ala 624 | Glu 624 | engineered mutation |
| Ala 625 | Lys 625 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32521.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 627.8 | |
| All* | Total formula weight | 33149.0 |
