Abstract:

In this study, according to the classification and activity of auxin plant hormones the authors carry out docking experiments with four auxins, IAA, 1-NAA, 2,4-D, 2-NAA, and the receptor. The docking experiments are implemented step by step. First, the significant of co-factor InsP₆ and center water in the mechanism of auxins are explored by docking; second, the experiments that compared with the docking rusults of two situations involving fully rigid and selective flexible of active residue of the receptor TIR1 illuminate that selective flexibility docking by AutoDock4 reports more rational results, so that, AutoDock4 dockings are implemented with TIR1-Auxins; third, AutoDock4 docking by TIR1-Auxins-Aux/IAA illuminates that auxin as a molecular glue enhances the interaction between TIR1 receptor and Aux/IAA substrate by the weak interactions, such as hydrogen bond and hydrophobic interaction, furthermore, the weak interactions between receptor protein and ligands greatly influence on auxin activity of auxin ligands.

Key words: Docking; Auxin; F-box protein TIR1; Hydrogen bond; Hydrophobic interaction