8BR7
Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (AAA, BBB) | Interleukin-1 receptor-associated kinase 4 | polymer | 298 | 33286.6 | 2 | UniProt (Q9NWZ3) Pfam (PF07714) | Homo sapiens (human) | IRAK-4,Renal carcinoma antigen NY-REN-64 |
| 2 | C, D (AAA, BBB) | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide | non-polymer | 512.5 | 2 | Chemie (R6R) | |||
| 3 | E, F (AAA, BBB) | water | water | 18.0 | 41 | Chemie (HOH) |
Sequence modifications
AAA, BBB: 165 - 460 (UniProt: Q9NWZ3)
| PDB | External Database | Details |
|---|---|---|
| Gly 163 | - | expression tag |
| Ser 164 | - | expression tag |
| Ala 400 | Lys 400 | engineered mutation |
| Ala 401 | Glu 401 | engineered mutation |
| Ala 402 | Glu 402 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66573.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1025.0 | |
| All* | Total formula weight | 67598.2 |
