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 | Epidermal growth factor receptor | polymer | 333 | 37963.9 | 2 | UniProt (P00533) Pfam (PF07714) In PDB | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
2 | 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 | 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 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
6 | 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 |