416534.fig.003a
(a)
416534.fig.003b
(b)
Figure 3: Docking analysis of curcumin binding to PMPMEase. (a) The crystal structure of hCE1/human PMPMEase (1YAH) enzyme showing the docking of curcumin at the active and allosteric sites displayed in the Licorice visualization. The visualizations were created using visual molecular dynamics (VMD). (b) Curcumin in the active site of 1YAH in the Licorice visualization. The active site catalytic triad of amino acids is shown with the coloring method (carbon atoms in blue, oxygen in red, nitrogen in dark blue, and hydrogen in white). Curcumin is shown in orange Licorice visualization.