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Figure 2.
Figure 2. Active site of the catalytic domain of ASV IN. (a)
Stereoview of the electron-density map (generated using O [34])
for the Mg^2+ complex (500 mM MgCl[2], see text). This
F[o]–F[c] map, contoured at 5σ level, was calculated at 1.8
å resolution after refinement of a model which excluded
the Mg^2+ cation and its coordinated water molecules. The
density corresponding to the cluster of an
octahedrally-coordinated metal ion and four waters is
exceedingly clear. (b) Stereoview of the active site of ASV IN
generated using MOLSCRIPT [35]. Shown is part of the active site
displaying the coordination of Mn^2+ with four water molecules,
as well as with the carboxylates of Asp121 and Asp64. The water
molecule marked W324 is found in the same location in all ASV
IN structures. The putative hydrogen bonds made by this
molecule (red dashed lines), identified by an analysis of
distances and angles, form a distorted tetrahedron (also
including a bond to Nε2 of Gln153, not marked). Figure 2.
Active site of the catalytic domain of ASV IN. (a) Stereoview of
the electron-density map (generated using O [[4]34]) for the
Mg^2+ complex (500 mM MgCl[2], see text). This F[o]–F[c] map,
contoured at 5σ level, was calculated at 1.8 å resolution
after refinement of a model which excluded the Mg^2+ cation and
its coordinated water molecules. The density corresponding to
the cluster of an octahedrally-coordinated metal ion and four
waters is exceedingly clear. (b) Stereoview of the active site
of ASV IN generated using MOLSCRIPT [[5]35]. Shown is part of
the active site displaying the coordination of Mn^2+ with four
water molecules, as well as with the carboxylates of Asp121 and
Asp64. The water molecule marked W324 is found in the same
location in all ASV IN structures. The putative hydrogen bonds
made by this molecule (red dashed lines), identified by an
analysis of distances and angles, form a distorted tetrahedron
(also including a bond to Nε2 of Gln153, not marked).
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