8GB4
EGFR(T790M/V948R) kinase in complex with benzimidazole 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 (A, B, C, D) | Epidermal growth factor receptor | polymer | 331 | 37724.6 | 4 | UniProt (P00533) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1 |
| 2 | E, H, K, N (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 3 | F, I, L, O (A, B, C, D) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 4 | Chemie (ANP) | |||
| 4 | G, J, M, P (A, B, C, D) | 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one | non-polymer | 530.6 | 4 | Chemie (YW5) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 695 - 1022 (UniProt: P00533)
| PDB | External Database | Details |
|---|---|---|
| Gly 692 | - | expression tag |
| Ser 693 | - | expression tag |
| Thr 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 | 4 |
| Total formula weight | 150898.4 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4244.5 | |
| All* | Total formula weight | 155142.9 |
