5UGA
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
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 | 37580.5 | 1 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | B (A) | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | non-polymer | 477.6 | 1 | Chemie (8BM) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E, F, G (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | H (A) | water | water | 18.0 | 160 | Chemie (HOH) |
Sequence modifications
A: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 694 | - | expression tag |
| Met 790 | Thr 790 | engineered mutation |
| Arg 858 | Leu 858 | engineered mutation |
| Arg 948 | Val 948 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37580.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 946.0 | |
| All* | Total formula weight | 38526.5 |
