Structure and dynamics of photoactivatable adenylyl cyclase


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Abstract

The full-atom 3D model of the dimer of the photoregulated adenylyl cyclase is constructed. It contains a molecule of flavin mononucleotide chromophore in the photoreceptor domain and a molecule of adenosine triphosphate substrate in the catalytic domain of each monomer. The performed molecular dynamics simulations show that monomers in the dimer are not equivalent, as well as that the conformation of the dimer changes upon substrate binding to the active site and also after transition of the photoreceptor domain from the dark to the light form.

About the authors

A. M. Kulakova

Department of Chemistry, M. V. Lomonosov Moscow State University

Email: izvan@ioc.ac.ru
Russian Federation, Build. 3, 1 Leninskye Gory, Moscow, 119991

M. G. Khrenova

Department of Chemistry, M. V. Lomonosov Moscow State University; Federal Research Centre “Fundamentals of Biotechnology”, Russian Academy of Sciences

Author for correspondence.
Email: izvan@ioc.ac.ru
Russian Federation, Build. 3, 1 Leninskye Gory, Moscow, 119991; Build. 2, 33 Leninsky prosp., Moscow, 119071

A. V. Nemukhin

Department of Chemistry, M. V. Lomonosov Moscow State University; N. M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences

Email: izvan@ioc.ac.ru
Russian Federation, Build. 3, 1 Leninskye Gory, Moscow, 119991; 4 ul. Kosygina, Moscow, 119334

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