The role of an active site Mg(2+) in HDV ribozyme self-cleavage: insights from QM/MM calculations.


The hepatitis delta virus (HDV) ribozyme is a catalytic RNA motif embedded in the human pathogenic HDV RNA. It catalyzes self-cleavage of its sugar-phosphate backbone with direct participation of the active site cytosine C75. Biochemical and structural data support a general acid role of C75. Here, we used hybrid quantum mechanical/molecular mechanical (QM… (More)
DOI: 10.1039/c4cp03857f


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