Dinucleoside monophosphate having a high anti conformation: the crystal structure of 8,2'-S-cycloadenylyl-(3'-5')-8,2'-S-cycloadenosine hydrochloride

The crystal and molecular structure of 8,2'-S-cycloadenylyl-(3'-5')-8,2'-S-cycloadenosine (AspAs) hydrochloride has been determined by X-ray method. The conformation of two independent AspAs molecules found in an asymmetric unit are almost identical to each other. The torsion angles concerning the sugar-phosphate backbone are different from those in crystalline dinucleoside monophosphates so far determined by X-rays. Both AspAs molecules are in the sharp bend conformations, i.e. each rotation around P-O bond (omega', omega) is (g-, t) rather than the preferred (g-, g-) or (g+, g+) conformation. There is no intramolecular base stacking or base-pairing but the intermolecular base stacking was found.