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Figure 1.
FIG. 1. A, overlay of the active sites in the structures at
pH 4 (red), pH 5 (yellow), with PMSF (gray) and DFP (blue),
showing the effects of the covalent inhibitors on the catalytic
triad. It also shows that different orientations are possible
for the substrate. B, the active site in the pH 4 structure, as
used for the ab initio calculations. The oxyanion hole is
omitted for clarity. The geometry around the substrate arginine
carbonyl is roughly tetrahedral and shows unusual interatomic
distances. Figures were produced with Molscript/Raster3D (36).
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