Table 3.
Interactions of ALK native and mutant models with Crizotinib. AutoDock binding energy, nature of interaction, and participating residues are listed. Distance between drug atoms and residues involved in hydrogen bond is noted.
| Protein model | Binding energy | Hydrogen bonding | Hydrophobic residues | |
|---|---|---|---|---|
| (Kcal/mol) | Residue | Distance (Å) | ||
| Native | −9.21 | Q 1197 | 2.80 | Q 1146, 1196, A 1148, T 1258, L 1198, L L 1256, G 1202, A 1200. |
| M 1199 | 1.97 | |||
|
| ||||
| F1174L | −7.34 | Q 1197 | 3.07 | L 1122, A 1148, M 1196, M 1199, A 1200, G 1201, G 1202, R 1253, L 1256. |
|
| ||||
| R1275Q | −8.07 | M 1199 | 3.01 | L 1122, A1148, Q 1197, L 1196, Q 1197 L 1198, A 1200, G 1202, L 1256, R 1253, D 1203, N 1254, D 1270, L 1150. |