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. Author manuscript; available in PMC: 2013 Feb 22.
Published in final edited form as: J Am Chem Soc. 2009 Jul 29;131(29):10220–10228. doi: 10.1021/ja9026314

Figure 2.

Figure 2

Representative structures of the high-affinity metal-binding sites after energy minimization and MD simulation studies. High-affinity site with either (a) Ni2+ or (b) K+ after energy minimization. Metal–ligand distances are shown in Å. (c) Average structure from MD simulation of high-affinity site containing K+. Coloring is the same as in Figure 1. Water molecules are represented as red spheres.