8PO1
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [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 | 332 | 37774.6 | 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},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one | non-polymer | 535.6 | 1 | Chemie (2EI) | |||
| 3 | A | IODIDE ION | non-polymer | 126.9 | 20 | Chemie (IOD) | |||
| 4 | water | water | 18.0 | 142 | Chemie (HOH) |
Sequence modifications
A: 695 - 1025 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 694 | - | expression tag |
| Gly 773 | - | insertion |
| Asn 774 | - | insertion |
| Pro 775 | - | insertion |
| Arg 951 | Val 948 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37774.6 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 3073.7 | |
| All* | Total formula weight | 40848.3 |
