Figure 8

Prediction of amodiaquine-interacting residues on PfPMT using HNMT structure. (A) Molecular surface representation of HNMT. Red solvent-accessible surfaces identify invariant residues between HNMT and PfPMT. Phe190 is colored in orange. Two AQ molecules are shown as stick with the carbon atoms depicted in cyan, nitrogen in blue, oxygen in red, and chlorine in green. (B) The Cα trace of HNMT in a similar orientation as (A). The AQ-interacting residues are shown as stick forms. The HNMT residues, corresponding to the nine residues of PfPMT whose chemical shifts are perturbed in response to AQ binding, are shown in green. Figures were prepared by using Pymol [56].