|
Figure 3.
Figure 3. Complex of mini-MMP-9 and the barbiturate inhibitor
RO-206-0222
(5-(4-phenoxy-phenyl)-5-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrimidin-2,4,6-trione).
(a) Chemical formula of RO-206-0222 and IC[50] values against
several MMPs.^32 (b) Stereo representation of the active site
region of mini-MMP-9-RO-206-0222, superimposed with the
2F[obs]–F[calc] electron density (orange) around the
inhibitor, contoured at 1σ. The standard orientation is as in
Figure 1(a). The inhibitor and the mini-MMP-9 are shown as stick
models, with nitrogen and oxygen atoms in blue and red, and
carbon atoms in yellow and green, respectively. Ionic bonds to
the catalytic zinc and intermolecular hydrogen bonds are shown
as broken lines (distances in Å).
|
