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- P-ISSN 2233-4203
- E-ISSN 2093-8950
The Cu-binding site in the [Cu·dCMP·dCMP-H]1− complex was investigated. The tandem mass (MS/MS) spectra ofthe [Cu·dCMP·dCMP-H]1− parent ion showed [dCMP·Cu·H2PO4 + CONH]1− fragment ions. Therefore, we propose that the Cucation is simultaneously coordinated to the phosphate site and cytosine moiety in the stable geometry of the [Cu·dCMP·dCMPH]1− complex. Three geometries for the complex were considered in an attempt to optimize the structure of the[Cu·dCMP·dCMP-H]1− complex. The ab initio calculations were performed at the B3LYP/6-311G** level.
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