Fig 8. Migration of the ligand from the water reservoir to the active site of PfM1-AAP.

A: Met-Phe approaches the positively charged Lys965-Glu962-Arg489 cluster to form a salt bridge with Arg489 that brings Met-Phe to the active site. Rotation of Arg489 to the active site is shown with two transparent Arg489 side chains. B: The final position of Met-Phe in the active site. The salt bridges and hydrogen bonds are shown in a black-dotted line.