5T18
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
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 | 267 | 31203.9 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | A | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | non-polymer | 572.6 | 1 | Chemie (73T) | |||
| 3 | water | water | 18.0 | 147 | Chemie (HOH) |
Sequence modifications
A: 396 - 659 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Gly 393 | - | expression tag |
| His 394 | - | expression tag |
| Met 395 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31203.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 572.6 | |
| All* | Total formula weight | 31776.5 |
