Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion
Abstract
:1. Introduction
2. Materials and Methods
2.1. All-Atom Simulation Parameters and Protocol
2.2. Coarse-Gained Simulation
2.3. Simulation Analyses
2.3.1. Potential of Mean Force
2.3.2. Lipid Orientation Order
2.3.3. Membrane Bending Rigidity
2.3.4. Lipid Packing Defect
3. Results
3.1. Temporin B and L Form Stable Helical Dimers at Water–Gas Interface
3.2. Temporin B and L Maintain α-Helix Conformations at Lipid Membrane Surface
3.3. Temporin B and L Squeeze out Lipids from Membrane
3.4. Temporin B and L Penetrate Shallowly into Membrane
3.5. Temporin B and L Induce Tubule-like Membrane Protrusions
3.6. Temporin B and L Create Lipid Packing Defects
3.7. Binding of TB and TL Enhances the Flexibility of a Membrane
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Zhang, S.; Ma, M.; Shao, Z.; Zhang, J.; Fu, L.; Li, X.; Fang, W.; Gao, L. Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion. Int. J. Mol. Sci. 2021, 22, 11015. https://doi.org/10.3390/ijms222011015
Zhang S, Ma M, Shao Z, Zhang J, Fu L, Li X, Fang W, Gao L. Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion. International Journal of Molecular Sciences. 2021; 22(20):11015. https://doi.org/10.3390/ijms222011015
Chicago/Turabian StyleZhang, Shan, Ming Ma, Zhuang Shao, Jincheng Zhang, Lei Fu, Xiangyuan Li, Weihai Fang, and Lianghui Gao. 2021. "Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion" International Journal of Molecular Sciences 22, no. 20: 11015. https://doi.org/10.3390/ijms222011015