8GK5
EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor
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 (A, B, C, D) | Epidermal growth factor receptor | polymer | 331 | 37724.6 | 4 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | E, G, I, K (A, B, C, D) | ~{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 | 4 | Chemie (Q6K) | |||
| 3 | F, H, J, L (A, B, C, D) | 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one | non-polymer | 530.6 | 4 | Chemie (YW5) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 132 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 692 | - | expression tag |
| Ser 693 | - | expression tag |
| Thr 694 | - | expression tag |
| Met 790 | Thr 790 | engineered mutation |
| Arg 948 | Val 948 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 150898.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4129.0 | |
| All* | Total formula weight | 155027.4 |
