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. Author manuscript; available in PMC: 2011 Feb 26.
Published in final edited form as: J Med Chem. 2010 Oct 14;53(19):6867–6888. doi: 10.1021/jm1001748

Figure 1.

Figure 1

One high scoring active site conformation of inhibitor 1a (green) as identified by flexible ligand GOLD32 docking experiments (A) using a Connoly analytical surface graphical representation developed in PyMOL,37 red hydrophobic to blue hydrophilic, and (B) using a “cartoon” graphical representation developed in PyMOL37 and overlaid with the peptide inhibitor CVFM (orange) from the rFTase crystal structure. Binding surface of rat FTase (PDB ID: 1JCR35), values in parentheses refer to corresponding residues in PfFTase;31 small molecules colored by atom type: FPP colored red (farnesyl) and blue (pyrophosphate); blue spheres = water molecules; purple sphere = zinc ion.