Avaliações PREreview 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

de Helen Mary Ginn

Publicado: 5 de agosto de 2022
Servidor: bioRxiv
DOI: 10.1101/2022.08.04.502807

Resumo

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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Avaliação PREreview de Ashraya Ravikumar

De autoria de 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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Avaliações PREreview de Torsion angles to map and visualize the conformational space of a protein

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