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. Author manuscript; available in PMC: 2013 Dec 16.
Published in final edited form as: J Med Chem. 2012 Oct 15;55(20):10.1021/jm301160h. doi: 10.1021/jm301160h

Figure 7.

Figure 7

Investigation of selectivity over HsNMT1: (a) conformational change of Y211 in PvNMT-NHM (PDB code: 4B10) upon the binding of 26 (PDB code: 4B14); (b) HsNMT1-Myr-CoA (PDB code: 3IU1) overlaid with PvNMT-NHM-26 complex (PDB code: 4B14). This indicates a clash between Y296 in HsNMT1 and 26; (c) conformational change of Y211 in PvNMT-NHM (PDB code: 4B10) upon binding 27(PDB code: 4A95); (d) overlay of HsNMT1-Myr-CoA (PDB code: 3IU1) with PvNMT-NHM-27 (PDB code: 4A95). This suggests minimal conformational changes of that particular tyrosine when binding this inhibitor. Atoms are colored: C yellow (enzymes in the ternary complex), C grey (enzymes in the binary complex), C green (inhibitors), N blue, O red, S gold.