Dinucleoside monophosphate having a high anti conformation. II. The crystal structure of 8,2'-S-cycloinosinyl-(3',5')-8,2'-S-cycloadenosine hexahydrate.
The crystal and molecular structure of 8,2'-S-cycloinosinyl-(3',5')-8,2'-S-cycloadenosine (IspAs) hexahydrate has been determined by X-ray diffraction method. The torsion angles around the sugar-phosphate backbone are unique and different from those found in the crystalline dinucleoside monophosphates so far determined. The rotation around the P-O bond, (omega',omega), is (g+,t). An IspAs molecule is in a folded form. There is no intramolecular base stacking or base-pairing but the intermolecular base stacking is dominant.