PREreviews of “Torsion angles to map and visualize the conformational space of a protein”

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Torsion angles to map and visualize the conformational space of a protein

by Helen Mary Ginn

Posted: August 5, 2022
Server: bioRxiv
DOI: 10.1101/2022.08.04.502807

Abstract

Present understanding of protein structure dynamics trails behind that of static structures. A torsionangle based approach, called representation of protein entities (RoPE), derives an interpretable conformational space which correlates with data collection temperature, resolution and reaction coordinate. For more complex systems, atomic coordinates fail to separate functional conformational states, which are still preserved by torsion angle-derived space. This indicates that torsion angles are often a more sensitive and biologically relevant descriptor for protein conformational dynamics than atomic coordinates.

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PREreview by Ashraya Ravikumar

Authored by Ashraya Ravikumar

Summary:
In this work, the author asks how protein structures change based on analyzing the torsion angles. Through examples they show that the distribution of points in this representation correlates with resolution and data collection temperature of the structures. They also construct the RoPE…

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PREreviews of Torsion angles to map and visualize the conformational space of a protein

1 PREreview