6TG1
Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b
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 | 333 | 37963.9 | 2 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | C, H (A, B) | ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | non-polymer | 603.7 | 2 | Chemie (N82) | |||
| 3 | D, N (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | E, F, G, J, K... (A, B) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 5 | I (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | O, P (A, B) | water | water | 18.0 | 225 | Chemie (HOH) |
Sequence modifications
A, B: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 690 | - | expression tag |
| Ser 691 | - | expression tag |
| His 692 | - | expression tag |
| Met 693 | - | expression tag |
| Ala 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 | 2 |
| Total formula weight | 75927.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2026.9 | |
| All* | Total formula weight | 77954.7 |
