9JQ1
Crystal structure of EGFR T790M/C797S/L858R mutant in complex with 2,2-dichloro-N-(5-((5-chloro-4-((2-(dimethylphosphoryl)phenyl)amino)pyrimidin-2-yl)amino)-4-methoxy-2-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)acetamide
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Epidermal growth factor receptor | polymer | 329 | 37505.3 | 1 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | B (A) | 2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide | non-polymer | 710.0 | 1 | Chemie (A1ECU) | |||
| 3 | C (A) | water | water | 18.0 | 6 | Chemie (HOH) |
Sequence modifications
A: 694 - 1020 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 692 | - | expression tag |
| Ser 693 | - | expression tag |
| Met 790 | Thr 790 | engineered mutation |
| Ser 797 | Cys 797 | engineered mutation |
| Arg 858 | Leu 858 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37505.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 710.0 | |
| All* | Total formula weight | 38215.4 |
