Figure 6.
EcNikR-DNA structure, with residues with the most extreme contributions to ΔΔG colored in red and blue. Red residues contribute ≤−10 kcal/mol to ΔΔG and prefer Ni2+ ions in the second metal-binding sites (black spheres). Residues in blue contribute ≥10 kcal/mol to ΔΔG and prefer K+ ions in the second metal-binding sites. All backbone atoms are shown in ribbon form and are colored gray. Residues that contribute between −10 and 10 kcal/mol to the ΔΔG are not shown in stick form.