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Exploring the molecular mechanism of PIP2-regulated sterol transport by StarD4

发表日期 November 30, 2022 (DOI: https://doi.org/10.54985/peeref.2211p2727361)

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作者

Hengyi Xie1 , Ambrose Plante1 , Ekaterina Kots1 , Harel Weinstein1
  1. Weill Cornell Medicine

会议/活动

The 66th Biophysical Society Annual Meeting, February 2022 (San Fransisco, United States)

海报摘要

In subcellular cholesterol homeostasis StarD4 performs sterol-specific transfer with kinetics of pickup and delivery modulated by the phosphatidylinositol phosphate (PIP) present in the respective membranes. We study the molecular mechanism of StarD4 cholesterol (CHL) trafficking using molecular dynamics simulations. Comparing StarD4 binding to membranes containing PI(4,5)P2, PI(3,5)P2 or PS we find an allosteric pathway connecting repositioning of CHL in the binding pocket with gate opening, and different modes of lipid binding and embedding orientations of StarD4. These differences are associated with different free-energy barriers for cholesterol release, suggesting a mode of regulation of StarD4 sterol transport by PIP-subtypes recognition.

关键词

Molecular dynamics simulation, Allosteric pathway of gate opening, Trajectory analysis with N-body information theory, Trajectory analysis with rare event detection algorithms

研究领域

Biological Sciences

参考文献

  1. Zhang, X., Xie, H., Iaea, D., Khelashvili, G., Weinstein, H., and Maxfield, F. R. (2022) Phosphatidylinositol Phosphates Modulate Interactions between the StarD4 Sterol Trafficking Protein and Lipid Membranes. J Biol Chem, 102058

基金

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补充材料

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附加信息

利益冲突
No competing interests were disclosed.
数据可用性声明
The datasets generated during and / or analyzed during the current study are available from the corresponding author on reasonable request.
知识共享许可协议
Copyright © 2022 Xie et al. This is an open access work distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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引用
Xie, H., Plante, A., Kots, E., Weinstein, H. Exploring the molecular mechanism of PIP2-regulated sterol transport by StarD4 [not peer reviewed]. Peeref 2022 (poster).
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