Computational Perspectives into Plasmepsins Structure—Function Relationship: Implications to Inhibitors Design
Figure 1
The different binding modes described for plasmepsin II*. Closed (a), partially opened (b), and open (c). Protein backbones are represented as green ribbons. Ligands (pepstatin A (a), rs370 (b), and IH4 (c) in yellow), and all amino acids in their close vicinity (up to 6 Angstrom) are shown in stick using a color code by the atom type. Panels D to F show the solvent accessible surface of a representative protein from each binding mode (PDB ID: 1XDH (a), 1LF2 (b), and 2BJU (c)). The zone up to 4 angstrom away from the ligands is colored in magenta, and catalytic residues D34 and D214 are shown in red. These figures were prepared with PYMOL. *According to Luksch and colleagues [4].
