V.V. MORARIU, OANA ZAINEA

National Institute for R&D of Isotopic and Molecular Technologies, 71–103, Donath street, Cluj-Napoca, 400293, Romania

Abstract. A correlation investigation was carried out on the series atomic coordinates (MPV) and temperature factor (Tf) respectively for protein main chains. The MPV series revealed resemblances to the corresponding Tf series in the case of human hemoglobin and HIV-1 protease. Each minor or major peak in a series had a corresponding peak in the related series. This brings a qualitative evidence for the connection of the two parameters. The series were further subjected to spectral and detrended fluctuation analysis. They were characterized in terms of scaling exponents, as the series showed long-range correlation properties. The MPV series are stronger correlated structures and much less sensitive to ligand binding than the Tf series. The Tf series are comparatively much more sensitive to the same factors. Thus the long-range correlation properties of the protein main chain structure and mobility reveal two complementary properties of protein molecules. While structure imparts constancy to the system, the atomic mobility represents function yet they are intimately connected.

Corresponding author’s e-mail: vvm@L40.itim-cj.ro

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