Abstract
We studied the process of proton transfer from oxygen of serine 195 to nitrogen of the imidazole ring of histidine 57 that takes place in the active site of the enzyme α-chymotrypsin (CT). We studied the dynamics of the proton in a non-stationary potential of the active site of CT with regard to the fluctuations determined by the oscillations of the clusters. In addition to tunneling in the nonstationary potential we observed an incoherent dynamic irreversible process of the over-barrier transfer, that is caused by the noise action. The fluctuations of the potential field of the active site were described by either white or colored noise. Probability and energy parameters were obtained for both cases. We studied the influence of the amplitude and frequency of the colored noise and the asymmetry of the potential wells of the non-stationary two-minimum potential on the proton dynamics. It was demonstrated that over-barrier proton transfer plays the most important role.
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Grishanin, B.A., Romanovskii, Y.M., Chikishev, A., Shuvalova, E.V. (2000). Quantum Mechanical Model of Proton Transfer in a Fluctuating Potential Field of the Active Site of α-Chymotrypsin. In: Freund, J.A., Pöschel, T. (eds) Stochastic Processes in Physics, Chemistry, and Biology. Lecture Notes in Physics, vol 557. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-45396-2_31
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DOI: https://doi.org/10.1007/3-540-45396-2_31
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