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. 2015 Aug 28;11(10):4943–4958. doi: 10.1021/acs.jctc.5b00728

Figure 9.

Figure 9

Na+ binding pocket was observed near U6 when it was in the syn orientation. When occupied by a Na+ ion, there are three attractive electrostatic interactions. As shown in Figure 8, these interactions stabilize the synanti UU orientation. When no Na+ ion was present in the pocket, U6 unstacked via the minor groove (Movie S4). A full synanti transformation, however, was not observed, due to the rapid occupation of the pocket by Na+ ions. This can be seen in the rmsd analyses of U6U17 (Figure 8) where the orange colored state has a short lifetime.