Study on Molecular Recognition between Euphorbia Factor L713283 and β-Tubulin via Molecular Simulation Methods

Figure 8

The refined binding mode between L713283 and β-tubulin. (a) The L713283 and key residues are shown in stick model. The four key residue regions are depicted with Cα-wire model in green, blue, orange, and purple. The polar types of each eight amino acids are shown in the corresponding rectangles. (−), (0), and (+) are used to represent the amino acids in negative, nonpolar, and positive charges, respectively. (b) The electrostatic potential map of the active pocket of β-tubulin. L713283 is shown in green stick model. The regions of positive and negative charges are, respectively, colored in blue and red.

(a)

(b)