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Figure 2.
Figure 2. Complex of mini-MMP-9 and the phosphinic acid
inhibitor AM-409
([2-[1-carbamoyl-2-(1H-Indol-3-yl)-ethylcarbamoyl]-3-(3-phenyl-isoxazol-5-yl)-propyl]-phenyl-phosphinic
acid). (a) Chemical formula of AM-409 and K[i] values against
several MMPs (V.D., unpublished results). (b) Stereo plot of a
section around the active site of mini-MMP-9 in standard
orientation (see Figure 1(a)), superimposed with the
2F[obs]–F[calc] electron density (orange) accounting for the
inhibitor, contoured at 1σ. 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. The phosphorus atom is depicted in dark grey.
Ionic bonds to the catalytic zinc and intermolecular hydrogen
bonds are shown as broken lines (distances in Å). Water
molecules are displayed as blue spheres. Only the dominating of
two AM-409 conformations is depicted.
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