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Maria S. Kuryshkina, Anna M. Kulakova, Alexander A. Moskovsky, Maria G. Khrenova
Comparative study of the
dynamic behavior of bacterial photoregulated adenylate cyclases bPAC and
OaPAC
Abstract
Abstract.
Photoregulated adenylate cyclases bPAC and OaPAC are compared using classical
molecular dynamics simulations in both states, before and after blue light
irradiation. The pathways of signal transduction from the photoreceptor to the
catalytic domain are determined. The more pronounced acceleration of the
catalytic reaction rate as a result of light irradiation in the case of bPAC is
explained both by a shift in equilibrium towards a closed conformation and by a
larger number of suboptimal pathways of allosteric signal transduction from
photoreceptor to catalytic domain.
Key words: adenylate
cyclase, allosteric regulation, molecular dynamics, dynamic network analysis
Copyright (C) Chemistry Dept., Moscow State University, 2002
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