Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.
Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
(DT)(DT)(DA)(DG)(DG)(DG)(DT)(DT)(DA)(DG)(DG)(DG)(DT)(DT)(DA)(DG)(DG)(DG)(DT)(DT) (DA)(DG)(DG)(DG)(DT)(DT)
simulated annealing with cartesian angle dynamics; refinement in explicit water
1 mM DNA 26mer, 70 mM potassium chloride, 25 mM KPi, 0.3 mM DSS, 1.3 mM Auoxo6, 93% H2O/ 7%DMSO-d6
1 mM DNA 26mer, 70 mM potassium chloride, 25 mM KPi, 0.3 mM DSS, 1.3 mM Auoxo6, 93% D2O / 7% DMSO-d6
Brunger, Adams, Clore, Gros, Nilges and Read