5YU9
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
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 | Epidermal growth factor receptor | polymer | 331 | 37650.6 | 4 | UniProt (P00533) Pfam (PF07714) In PDB | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | A, B, C, D | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one | non-polymer | 440.5 | 4 | Chemie (1E8) | |||
| 3 | C, D | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | water | water | 18.0 | 950 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 696 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 692 | - | expression tag |
| Ala 693 | - | expression tag |
| Met 694 | - | expression tag |
| Gly 695 | - | expression tag |
| Met 790 | Thr 790 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 150602.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1868.3 | |
| All* | Total formula weight | 152470.7 |
