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

DOI: 10.1002/pro.4608

Authors: Helen M. Ginn (Diamond Light Source; Institute for Nanostructure and Solid State Physics)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Protein Science

State: Published (Approved)
Published: February 2023

Abstract: Present understanding of protein structure dynamics trails behind that of static structures. A torsion-angle 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.

Subject Areas: Chemistry, Biology and Bio-materials


Technical Areas:

Added On: 27/02/2023 08:41

Documents:
Protein Science - 2023 - Ginn - Torsion angles to map and visualize the conformational space of a protein.pdf

Discipline Tags:

Biochemistry Chemistry Life Sciences & Biotech

Technical Tags: