8SCW
Crystal structure of IRAK4-HSA complexed with BMS-986147; 6-{5-CYANO-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL}-N-[(2R)-2-FLUORROXY-3-METHYLBUTYL]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Interleukin-1 receptor-associated kinase 4 | polymer | 305 | 34272.6 | 4 | UniProt (Q9NWZ3) Pfam (PF07714) | Homo sapiens (human) | IRAK-4,Renal carcinoma antigen NY-REN-64 |
| 2 | E, G, H, J, K... (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 3 | F, I, M, P (A, B, C, D) | (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide | non-polymer | 425.5 | 4 | Chemie (ZVA) | |||
| 4 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 160 - 460 (UniProt: Q9NWZ3)
| PDB | External Database | Details |
|---|---|---|
| Gly 156 | - | expression tag |
| Ala 157 | - | expression tag |
| Met 158 | - | expression tag |
| Gly 159 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 137090.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2470.3 | |
| All* | Total formula weight | 139560.6 |
