PREreviews de 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

par Helen Mary Ginn

Publié: 5 août 2022
Serveur de preprints: bioRxiv
DOI: 10.1101/2022.08.04.502807

Résumé

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 par Ashraya Ravikumar

Rédigé par 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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