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Figure 4.
FIGURE 4. Productive binding modes of D-glucose in the C2
and C3 orientations. A, observed binding of 2FG to the
His[6]-H167A[2FG] active site. Unbiased electron density for the
carbohydrate and part of the flavin ring. The electron density
was calculated using an early model where the ligand had not yet
been included. B, observed binding of 2FG in the C3-oxidation
orientation, and in the theoretical C2-oxidation orientation
(C). In C, the protein model from the His[6]-H167A[2FG] complex
was used for modeling the C2 orientation. The 2FG molecule was
rotated 180° about an axis defined roughly by a line running
through a point midway between the glucose atoms C5 and O5, and
a point midway between atoms C2 and C3. The same coloring scheme
is used as in Fig. 3.
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