Fig.4.

(a) The structure of polyprenyl pyrophosphate binding protein (PDB ID 1wbe) is shown as cartoon and the bound lipid, octaprenyl pyrophosphate, is shown as ball and stick. (b) The surface representation of the binding cavity consisting of protein atoms within 6Å of ligand. white: hydrophobic, green: hydrophilic, blue: positive, and red: negative. (c) The number of water molecules within 2Å of ligand versus simulation time in the hydrophobic channel. (d) The water density in the hydrophobic channel.