9GDV
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
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 | 330 | 37593.4 | 2 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | C, F (A, B) | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | non-polymer | 501.6 | 2 | Chemie (Q6K) | |||
| 3 | D, E, G, H (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | I, J (A, B) | water | water | 18.0 | 73 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 75186.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1387.5 | |
| All* | Total formula weight | 76574.3 |
