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

Present understanding of protein structure dynamics trails behind that of static structures. A torsion‐angle‐based approach, called the representation of protein entities, derives an interpretable conformational space that correlates with data collection temperature, resolution, and reaction coordin...

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Detalles Bibliográficos
Autor principal: Ginn, Helen Mary
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10022581/
https://www.ncbi.nlm.nih.gov/pubmed/36840926
http://dx.doi.org/10.1002/pro.4608
Descripción
Sumario:Present understanding of protein structure dynamics trails behind that of static structures. A torsion‐angle‐based approach, called the representation of protein entities, derives an interpretable conformational space that 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.