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Elastic and Non-elastic Properties of Cadherin Ectodomain: Comparison with Mechanical System

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Advances in Computer Science for Engineering and Education II (ICCSEEA 2019)

Part of the book series: Advances in Intelligent Systems and Computing ((AISC,volume 938))

Abstract

Cadherins are predominantly homotypically acting cell-cell adhesion molecules that play an essential role in animal differentiation and maintenance of tissue integrity. Their cell-cell adhesive function relies on the presence of Ca2+ but is also influenced by other ions, in particular Mg2+. Initial studies were devoted to analysis of the influence of various cations on cadherin-mediated cell-cell adhesion, and the subsequent work is focused predominantly on the role of Ca2+, disregarding other physiologically relevant ions that are also able to form water complexes and stabilize protein conformations, i.e. Mg2+. The amino acid sequence analysis revealed earlier the presence of several putative acidic Ca2+ binding motifs that were later confirmed. Using molecular dynamics simulations we demonstrated that the cadherin ectodomain acts as a spring but also dampens pulling forces. Both the simple model system (Glu-ion-Glu) and the complex cadherin macromolecule equally demonstrate two types of behavior: the systems with potassium and sodium ions possess less mechanical stability for external force action than the systems with calcium and magnesium.

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Funding

This research was funded by the RUSSIAN SCIENCE FOUNDATION.

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Authors and Affiliations

  1. Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, Pushchino, Moscow Region, 142290, Russia

    I. V. Likhachev & N. K. Balabaev

  2. Institute of Protein Research, Russian Academy of Sciences, 4, Institutskaya Street, Pushchino, Moscow Region, 142290, Russia

    I. V. Likhachev & O. V. Galzitskaya

Authors
  1. I. V. Likhachev
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  2. N. K. Balabaev
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  3. O. V. Galzitskaya
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Corresponding author

Correspondence to O. V. Galzitskaya .

Editor information

Editors and Affiliations

  1. School of Educational Information Technology, Central China Normal University, Wuhan, Hubei, China

    Zhengbing Hu

  2. Mechanical Engineering Research Institute of the Russian Academy of Sciences, Moscow, Russia

    Sergey Petoukhov

  3. “Igor Sikorsky Kiev Polytechnic Institute”, National Technical University of Ukraine, Kiev, Ukraine

    Ivan Dychka

  4. Halmos College of Natural Sciences and Oceanography, Nova Southeastern University, Ft. Lauderdale, FL, USA

    Matthew He

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Likhachev, I.V., Balabaev, N.K., Galzitskaya, O.V. (2020). Elastic and Non-elastic Properties of Cadherin Ectodomain: Comparison with Mechanical System. In: Hu, Z., Petoukhov, S., Dychka, I., He, M. (eds) Advances in Computer Science for Engineering and Education II. ICCSEEA 2019. Advances in Intelligent Systems and Computing, vol 938. Springer, Cham. https://doi.org/10.1007/978-3-030-16621-2_52

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