Figure 3 - full size

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).