6AUA
CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2625
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 | 265 | 30904.6 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | A | N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide | non-polymer | 607.7 | 1 | Chemie (BXJ) | |||
| 5 | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence modifications
A: 394 - 656 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Ala 544 | Arg 578 | conflict |
| Ala 657 | - | expression tag |
| Asn 658 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30904.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 891.9 | |
| All* | Total formula weight | 31796.5 |
