TY  - JOUR
AU  - Bertalan, Éva
AU  - Bondar, Ana-Nicoleta
TI  - Graphs of protein-water hydrogen bond networks to dissect structural movies of ion-transfer microbial rhodopsins
JO  - Frontiers in Chemistry
VL  - 10
SN  - 2296-2646
CY  - Lausanne
PB  - Frontiers Media
M1  - FZJ-2023-01084
SP  - 1075648
PY  - 2023
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - 36712989
UR  - <Go to ISI:>//WOS:000922846700001
DO  - DOI:10.3389/fchem.2022.1075648
UR  - https://juser.fz-juelich.de/record/972122
ER  -