8PO3
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Epidermal growth factor receptor | polymer | 330 | 37593.4 | 1 | UniProt (P00533) Pfam (PF07714) In PDB | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | A | 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one | non-polymer | 521.6 | 1 | Chemie (2II) | |||
| 3 | water | water | 18.0 | 224 | Chemie (HOH) |
Sequence modifications
A: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 693 | - | expression tag |
| Ser 694 | - | expression tag |
| Arg 948 | Val 948 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37593.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 521.6 | |
| All* | Total formula weight | 38115.0 |
