3OCS
Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746
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 | 271 | 31698.5 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (human) | Bruton tyrosine kinase, Agammaglobulinaemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK |
| 2 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 3 | A | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 4 | A | 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide | non-polymer | 579.7 | 1 | Chemie (746) | |||
| 5 | water | water | 18.0 | 159 | Chemie (HOH) |
Sequence modifications
A: 393 - 656 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Met 392 | - | expression tag |
| Glu 657 | - | expression tag |
| Asn 658 | - | expression tag |
| Leu 659 | - | expression tag |
| Tyr 660 | - | expression tag |
| Gly 661 | - | expression tag |
| Gln 662 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31698.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 946.0 | |
| All* | Total formula weight | 32644.5 |
