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Figure 3.
FIGURE 3. Stereo view illustrating the ligating solvent
molecule that coordinates the oxidized type 2 copper ion in
Cu-NiRs. a and b, pH6(a) and at pH 8.4 (b), both with 2F[o] -
F[c] electron density contoured at level 1.0. Asp-129
forms an H-bond to the solvent ligand at pH 6.0 (a), but this
bond is absent at pH 8.4 (b). The flexibility of His-287 at pH
8.4 can be seen as a movement of the imidazole ring toward the
type 2 copper ion (b).
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