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. Author manuscript; available in PMC: 2013 Dec 6.
Published in final edited form as: J Phys Chem Lett. 2012 Dec 6;3(23):3538–3544. doi: 10.1021/jz301670s

Figure 2.

Figure 2

Time series from reactive trajectories from the transition path ensembles aligned to the crossing points of ribosidic bond breakage and ribose-1 phosphate formation for both light (panels a and b) and heavy (panels c and d) enzymes. The time series demonstrate that the reaction occurs as previously proposed via scission of the ribosidic bond assisted by a promoting vibration, followed by stabilization of the leaving group with another promoting vibration. The trajectories are aligned so that 200 fs (marked with an arrow) is chosen as the transition point. The heavy enzyme shows significantly delayed timing of these promoting vibration events relative to the transition point as compared to the naturally occurring mass variant.