6P1D
Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (D, A, B, C) | Epidermal growth factor receptor | polymer | 327 | 37392.3 | 4 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (Human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | E, K, M (D, B, C) | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | non-polymer | 318.3 | 3 | Chemie (NQ1) | |||
| 3 | F, H, J, N (D, A, B, C) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 4 | Chemie (ANP) | |||
| 4 | G, I, L, O (D, A, B, C) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 5 | P, Q, R, S (D, A, B, C) | water | water | 18.0 | 343 | Chemie (HOH) |
Sequence modifications
D, A, B, C: 696 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Met 790 | Thr 790 | conflict |
| Arg 948 | Val 948 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 149569.1 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 3077.0 | |
| All* | Total formula weight | 152646.2 |
