Functional dynamics of hydrolytic enzymes

Alexey V. Kargovsky; Olga P. Khodjer; Yury M. Romanovsky

doi:10.1117/12.518626

13 October 2003 Functional dynamics of hydrolytic enzymes

Alexey V. Kargovsky, Olga P. Khodjer, Yury M. Romanovsky

Proceedings Volume 5068, Saratov Fall Meeting 2002: Optical Technologies in Biophysics and Medicine IV; (2003) https://doi.org/10.1117/12.518626
Event: Saratov Fall Meeting 2002 Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III, 2002, Saratov, Russian Federation

Abstract

One of important stages of the substrate bond breaking in the active site (AS) of α-chymotrypsin (ACT) is considered. Three tasks are solved by methods of quantum mechanics and stochastic molecular dynamics: the loosening of peptide bond of a substrate attacked by O^- ion of Ser195 of catalytic group; the opportunity of increase of a peptide bond (PB) breaking probability; the increase of this probability related to nonlinear interacting modes (or Fermi resonance (FR)) of oscillations of group N-H in PB. It is shown also that the splitting of vibrational levels Amide A and Amide B in a spectrum of an amide group pays off due to FR.

Citation Download Citation

Alexey V. Kargovsky, Olga P. Khodjer, and Yury M. Romanovsky "Functional dynamics of hydrolytic enzymes", Proc. SPIE 5068, Saratov Fall Meeting 2002: Optical Technologies in Biophysics and Medicine IV, (13 October 2003); https://doi.org/10.1117/12.518626

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