7A2A
Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001
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) | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide | non-polymer | 349.4 | 2 | Chemie (57N) | |||
| 3 | D, I (A, B) | ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide | non-polymer | 425.5 | 2 | Chemie (7G9) | |||
| 4 | E, F, J, K (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | G (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 116 | 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 | 9 |
| Total formula weight | 1969.4 | |
| All* | Total formula weight | 77897.2 |
