Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment

Angewandte Chemie International Edition vol. 51  p. 647-651  DOI: 10.1002/anie.201104147
PMID/PMCID: PMC3448066 Published: 2012-01-16 

Kin-Yiu Wong, Hong Gu, Shuming Zhang, Joseph A. Piccirilli, Michael E. Harris, Darrin M. York [ ]

  View Full Article
 Download PDF


The primary and secondary kinetic isotope effects for a model compound which represents RNA cleavage transesterification were calculated and compared with experimental measurements. Based on the good agreement between theory and experiments, the energy profile, reaction pathway, and two distinct transition states for the reactions of the model compound and two thio-substituted analogues were characterized.