Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase.
Journal
Nature communications
ISSN: 2041-1723
Titre abrégé: Nat Commun
Pays: England
ID NLM: 101528555
Informations de publication
Date de publication:
19 04 2023
19 04 2023
Historique:
received:
19
09
2022
accepted:
06
04
2023
medline:
21
4
2023
pubmed:
20
4
2023
entrez:
19
04
2023
Statut:
epublish
Résumé
Allosteric drugs have the potential to revolutionize biomedicine due to their enhanced selectivity and protection against overdosage. However, we need to better understand allosteric mechanisms in order to fully harness their potential in drug discovery. In this study, molecular dynamics simulations and nuclear magnetic resonance spectroscopy are used to investigate how increases in temperature affect allostery in imidazole glycerol phosphate synthase. Results demonstrate that temperature increase triggers a cascade of local amino acid-to-amino acid dynamics that remarkably resembles the allosteric activation that takes place upon effector binding. The differences in the allosteric response elicited by temperature increase as opposed to effector binding are conditional to the alterations of collective motions induced by either mode of activation. This work provides an atomistic picture of temperature-dependent allostery, which could be harnessed to more precisely control enzyme function.
Identifiants
pubmed: 37076500
doi: 10.1038/s41467-023-37956-1
pii: 10.1038/s41467-023-37956-1
pmc: PMC10115891
doi:
Substances chimiques
imidazole glycerol phosphate synthase
EC 3.5.1.-
Glycerol
PDC6A3C0OX
Amino Acids
0
Imidazoles
0
Phosphates
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Langues
eng
Sous-ensembles de citation
IM
Pagination
2239Subventions
Organisme : NIGMS NIH HHS
ID : R01 GM106121
Pays : United States
Organisme : NIH HHS
ID : GM R01-106121
Pays : United States
Commentaires et corrections
Type : ErratumIn
Informations de copyright
© 2023. The Author(s).
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