5UGC
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Epidermal growth factor receptor | polymer | 329 | 37580.5 | 1 | UniProt (P00533) Pfam (PF07714) In PDB | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | A | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | non-polymer | 417.4 | 1 | Chemie (8BS) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | water | water | 18.0 | 190 | 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 | 7 |
| Total formula weight | 947.9 | |
| All* | Total formula weight | 38528.4 |
