MyJournals Home  

RSS FeedsIJMS, Vol. 23, Pages 11674: 3β-Corner Stability by Comparative Molecular Dynamics Simulations (International Journal of Molecular Sciences)

 
 

2 october 2022 08:59:14

 
IJMS, Vol. 23, Pages 11674: 3β-Corner Stability by Comparative Molecular Dynamics Simulations (International Journal of Molecular Sciences)
 


This study explored the mechanisms by which the stability of super-secondary structures of the 3β-corner type autonomously outside the protein globule are maintained in an aqueous environment. A molecular dynamic (MD) study determined the behavioral diversity of a large set of non-homologous 3β-corner structures of various origins. We focused on geometric parameters such as change in gyration radius, solvent-accessible area, major conformer lifetime and torsion angles, and the number of hydrogen bonds. Ultimately, a set of 3β-corners from 330 structures was characterized by a root mean square deviation (RMSD) of less than 5 Å, a change in the gyration radius of no more than 5%, and the preservation of amino acid residues positioned within the allowed regions on the Ramachandran map. The studied structures retained their topologies throughout the MD experiments. Thus, the 3β-corner structure was found to be rather stable per se in a water environment, i.e., without the rest of a protein molecule, and can act as the nucleus or “ready-made” building block in protein folding. The 3β-corner can also be considered as an independent object for study in field of structural biology.


 
50 viewsCategory: Biochemistry, Biophysics, Molecular Biology
 
IJMS, Vol. 23, Pages 11673: Minicircle Delivery to the Neural Retina as a Gene Therapy Approach (International Journal of Molecular Sciences)
IJMS, Vol. 23, Pages 11675: Human Serum Albumin Misfolding in Aging and Disease (International Journal of Molecular Sciences)
 
 
blog comments powered by Disqus


MyJournals.org
The latest issues of all your favorite science journals on one page

Username:
Password:

Register | Retrieve

Search:

Molecular Biology


Copyright © 2008 - 2022 Indigonet Services B.V.. Contact: Tim Hulsen. Read here our privacy notice.
Other websites of Indigonet Services B.V.: Nieuws Vacatures News Tweets Nachrichten