Journal Article

FZJ-2023-01084

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Graphs of protein-water hydrogen bond networks to dissect structural movies of ion-transfer microbial rhodopsins

Bertalan, É. ; Bondar, A.-N. (Corresponding author)FZJ*

2023
Frontiers Media Lausanne

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Please use a persistent id in citations: http://hdl.handle.net/2128/33852  doi:10.3389/fchem.2022.1075648

Abstract: Microbial rhodopsins are membrane proteins that use the energy absorbed by the covalently bound retinal chromophore to initiate reaction cycles resulting in ion transport or signal transduction. Thousands of distinct microbial rhodopsins are known and, for many rhodopsins, three-dimensional structures have been solved with structural biology, including as entire sets of structures solved with serial femtosecond crystallography. This sets the stage for comprehensive studies of large datasets of static protein structures to dissect structural elements that provide functional specificity to the various microbial rhodopsins. A challenge, however, is how to analyze efficiently intra-molecular interactions based on large datasets of static protein structures. Our perspective discusses the usefulness of graph-based approaches to dissect structural movies of microbial rhodopsins solved with time-resolved crystallography.

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Contributing Institute(s):

1. Computational Biomedicine (IAS-5)
2. Computational Biomedicine (INM-9)

Research Program(s):

1. 5241 - Molecular Information Processing in Cellular Systems (POF4-524) (POF4-524)

Appears in the scientific report 2023

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