A Guided Tour of the Structural Biology of Gaucher Disease: Acid-β-Glucosidase and Saposin C
Figure 7
Computational docking and surface representations of GCase. (a) In silico fragment drug screening using extended loop 1 (yellow cluster clashes with receptor coordinates). (b) In silico fragment drug screening using helical loop 1 (no clashes observed). (c) Surface representation of IFG-bound GCase with ball-and-stick representation of truncated GlcCer computationally docked into the IFG-bound GCase coordinates. (d) Surface representation of glycerol-bound GCase. Glycerol is presented in ball-and-stick to illustrate the limited extent to which the active site is accessible.
