8PO4
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 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, B (A, B) | Epidermal growth factor receptor | polymer | 328 | 37449.3 | 2 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | C (A) | 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide | non-polymer | 481.5 | 1 | Chemie (26X) | |||
| 3 | D (B) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
| 4 | E (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | F, G (A, B) | water | water | 18.0 | 341 | Chemie (HOH) |
Sequence modifications
A, B: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Arg 948 | Val 948 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74898.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1013.0 | |
| All* | Total formula weight | 75911.6 |
