|
Figure 4.
Figure 4. Covalent and non-covalent binding of inhibitors
(green, carbon; red, oxygen; and blue, nitrogen) towards the
DPIV active site (active residues, light blue; enzyme residues,
beige). Intermolecular hydrogen bonds are given as broken black
lines, the 2F[obs] -F[calc] electron density omit maps (blue
mesh, contoured at 1s) are given for the inhibitor alone. The
Figure was prepared using the program PYMOL
(http://pymol.sourceforge.net/). (a) Ball-and-stick
representation of l-Pro-l-boroPro in complex with DPIV. (b)
Ball-and-stick representation of
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
(BDPX) shown against the solid surface of the DPIV residues
around the active site. (c) Ball-and-stick representation of
BDPX against the DPIV active site.
|
