Allosteric modulation of Plasmodium falciparum Isoleucyl tRNA synthetase by South African natural compounds
Fig 6
Global trajectory analysis of PfIleRS and HsIleRS last 80 ns equilibrated portions.
(A) PfIleRS backbone-RMSD violin plots of the holo states and PfIleRS-SANC complexes. (B) HsIleRS backbone-RMSD violin plots for the holo and HsIleRS-SANC complexes. (C) Orthosteric pocket (masked residues defining the pocket) backbone-RMSD violin plots of holo and PfIleRS-SANC complexes. (D) Selected SANCDB compounds RMSD violin plots for 100 ns simulation.