8U2E
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase BTK | polymer | 270 | 31511.2 | 1 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | B (A) | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | non-polymer | 539.6 | 1 | Chemie (UP9) | |||
| 3 | C, D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | E (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | F (A) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 6 | G (A) | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31511.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 826.1 | |
| All* | Total formula weight | 32337.3 |
