title: A conformational study of adenylyl-(3',5')-adenosine and adenylyl-(2',5')-adenosine in aqueous solution by carbon-13 magnetic resonance spectroscopy.
abstract: The solution conformation of adenylyl-(3',5')-adenosine and adenylyl-(2',5')-adenosine in both the stacked and unstacked states was studied by carbon-13 magnetic resonance spectroscopy. Large chemical shift differences between the base carbons in the dimers and those in the corresponding monomers are attributed in part to the influence of base-base interaction. Carbon-phosphorus couplings across three bonds revealed the preferred populations for certain backbone rotamers, demonstrating that significant changes in conformation about the "c(3')-O and C(5')-O bonds do not occur in the temperature or salt-induced unstacking of adenylyl-(3',5')-adenosine. However, rotations about the C(2')-O and C(5')-O bonds occur in the temperature-mediated unstacking of adenylyl-(2',5')-adenosine.
mesh_terms: D000241:Adenosine; D000249:Adenosine Monophosphate; D009682:Magnetic Resonance Spectroscopy; D008433:Mathematics; D008968:Molecular Conformation; D013329:Structure-Activity Relationship
chemical_list: D000249:Adenosine Monophosphate; D000241:Adenosine