Skip to main content
. Author manuscript; available in PMC: 2015 Jan 20.
Published in final edited form as: Chem Rev. 2014 Mar 24;114(7):3495–3578. doi: 10.1021/cr400458x

Figure 39.

Figure 39

Overlay of the Zn(II)N3O site in [Hg(II)]S[Zn(II)(H2O/OH−)]N(CSL9PenL23H)3n+ with the active site of human CAII. [Hg(II)]S[Zn(II)(H2O/OH−)]N(CSL9PenL23H)3n+ is shown in cyan (PDB code: 3PBJ) and CAII in tan (PDB code: 2CBA). (A) Top-down view of the overlay with CAII. The solvent molecule associated with [Hg(II)]S[Zn(II)(H2O/OH−)]N(CSL9PenL23H)3n+ is shown in red, and that associated with CAII lies underneath. (B) Side-on view of the overlay with CAII. The model displays an excellent structural overlay for the first coordination sphere atoms with CAII; however, the orientation of the imidazoles differs between the two proteins. Another subtle difference is that the present structure has three ε amino nitrogens bound to the Zn(II) ion, whereas CAII has a mixed two ε and one δ coordination sphere. Overlay was performed manually in Pymol. Adapted with permission from ref 213. Copyright 2012 Nature Publishing Group.