COMPUTATIONAL ANALYSIS OF THE STRUCTURAL PROPERTIES OF ALPHA - AND BETA - GALACTOSIDASES

Authors

  • Diana Larisa VLĂDOIU Faculty of Chemistry, Biology and Geography, Advanced Research Environmental Laboratories, West University, Timișoara, Romania. Corresponding author: adriana.isvoran@e-uvt.ro.
  • Vasile OSTAFE Department of Biology - Chemistry Faculty of Chemistry, Biology, Geography; Advanced Environmental Research Laboratory, West University, Timisoara, Romania. Email: vasile.ostafe@e-uvt.ro. https://orcid.org/0000-0003-1352-1115
  • Adriana ISVORAN Department of Biology-Chemistry and Advanced Environmental Research Laboratories, West University, Timisoara, Romania. Email: adriana.isvoran@e-uvt.ro. https://orcid.org/0000-0002-3068-2642

Keywords:

global and local structural properties, surface cavities; surface roughness.

Abstract

A computational study to compare the global and local physicochemical and structural properties of alpha- and beta-galactosidases using the retaining catalytic mechanism was performed. These proteins share quite similar global structural properties despite their low sequence similarity, structures superposition resulting in root mean squared deviation (RMSD) values around 1.25 Å for at least 43 alpha carbon atoms pairs. Almost the same RMSD values are obtained for the superposition of the catalytic domains of investigated galactosidases, but for a higher number of alpha carbon atoms pairs (68) reflecting the higher structural similarity of the catalytic domains. There are local individual properties of the surfaces of considered enzymes, beta-galactosidases exposing a more complex surface with a higher number of cavities, 42 for eukaryotic beta-galactosidases compared to 18 for eukaryotic alpha-galactosidases. Furthermore, beta- galactosidases usually depict larger and more hydrophobic cavities than alpha – galactosidases, the hydrophobicity scores of the biggest cavities being 24 for eukaryotic beta-galactosidases and 7 for eukaryotic alpha-galactosidases, respectively.

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Published

2015-03-30

How to Cite

VLĂDOIU, D. L. ., OSTAFE, V. ., & ISVORAN, A. . (2015). COMPUTATIONAL ANALYSIS OF THE STRUCTURAL PROPERTIES OF ALPHA - AND BETA - GALACTOSIDASES. Studia Universitatis Babeș-Bolyai Chemia, 60(1), 239–251. Retrieved from https://studia.reviste.ubbcluj.ro/index.php/chemia/article/view/8421

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