Atomistic Characterization of Beta-2-Glycoprotein I Domain V Interaction with Anionic Membranes.
Journal
bioRxiv : the preprint server for biology
Titre abrégé: bioRxiv
Pays: United States
ID NLM: 101680187
Informations de publication
Date de publication:
21 Mar 2024
21 Mar 2024
Historique:
medline:
2
4
2024
pubmed:
2
4
2024
entrez:
2
4
2024
Statut:
epublish
Résumé
Interaction of beta-2-glycoprotein I ( This study aims to elucidate the mechanism by which DV of We utilized molecular dynamics (MD) simulations to investigate the struc-tural basis of anionic lipid recognition by DV. To corroborate the membrane-binding mode identified in the HMMM simulations, we conducted additional simulations using a full mem-brane model. The study identified critical regions in DV, namely the lysine-rich loop and the hydrophobic loop, essential for membrane association via electrostatic and hydrophobic interactions, respectively. A novel lysine pair contributing to membrane binding was also discovered, providing new insights into The study advances our understanding of the molecular interactions be-tween
Sections du résumé
Background
UNASSIGNED
Interaction of beta-2-glycoprotein I (
Objectives
UNASSIGNED
This study aims to elucidate the mechanism by which DV of
Methods
UNASSIGNED
We utilized molecular dynamics (MD) simulations to investigate the struc-tural basis of anionic lipid recognition by DV. To corroborate the membrane-binding mode identified in the HMMM simulations, we conducted additional simulations using a full mem-brane model.
Results
UNASSIGNED
The study identified critical regions in DV, namely the lysine-rich loop and the hydrophobic loop, essential for membrane association via electrostatic and hydrophobic interactions, respectively. A novel lysine pair contributing to membrane binding was also discovered, providing new insights into
Conclusion
UNASSIGNED
The study advances our understanding of the molecular interactions be-tween
Identifiants
pubmed: 38562685
doi: 10.1101/2024.03.19.585743
pmc: PMC10983932
pii:
doi:
Types de publication
Preprint
Langues
eng