Journal Article

PUBDB-2023-00952

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Torsion angles to map and visualize the conformational space of a protein

Ginn, H. (Corresponding author)CFEL*XFEL.EU*DESY*

2023
Protein Society Bethesda, Md.

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Please use a persistent id in citations: doi:10.1002/pro.4608  doi:10.3204/PUBDB-2023-00952

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.

Note: License CC-BY; L:MB

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Contributing Institute(s):

1. CFEL-Coherent X-Ray Imaging (FS-CFEL-1)
2. Fachgruppe DNMX (FS-CFEL-1-DNMX)

Research Program(s):

1. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)

Experiment(s):

1. Experiments at CFEL

Appears in the scientific report 2023

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Database coverage:
; ; ; BIOSIS Previews ; Biological Abstracts ; Clarivate Analytics Master Journal List ; Current Contents - Life Sciences ; DEAL Wiley ; Essential Science Indicators ; IF >= 5 ; JCR ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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