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Structure, Dynamics...
Structure, Dynamics, and Interactions of GPI-Anchored Human Glypican-1 with Heparan Sulfates in a Membrane
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Dong, Chuqiao (författare)
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Choi, Yeol Kyo (författare)
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Lee, Jumin (författare)
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Zhang, X. Frank (författare)
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Honerkamp-Smith, Aurelia (författare)
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- Widmalm, Göran (författare)
- Stockholms universitet,Institutionen för organisk kemi
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Lowe-Krentz, Linda J. (författare)
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Im, Wonpil (författare)
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(creator_code:org_t)
- 2020-10-06
- 2021
- Engelska.
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Ingår i: Glycobiology. - : Oxford University Press (OUP). - 0959-6658 .- 1460-2423. ; 31:5, s. 593-602
- Relaterad länk:
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https://academic.oup...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Glypican-1 and its heparan sulfate (HS) chains play important roles in modulating many biological processes including growth factor signaling. Glypican-1 is bound to a membrane surface via a glycosylphosphatidylinositol (GPI)-anchor. In this study, we used all-atom molecular modeling and simulation to explore the structure, dynamics, and interactions of GPI-anchored glypican-1, three HS chains, membranes, and ions. The folded glypican-1 core structure is stable, but has substantial degrees of freedom in terms of movement and orientation with respect to the membrane due to the long unstructured C-terminal region linking the core to the GPI-anchor. With unique structural features depending on the extent of sulfation, high flexibility of HS chains can promote multi-site interactions with surrounding molecules near and above the membrane. This study is a first step toward all-atom molecular modeling and simulation of the glycocalyx, as well as its modulation of interactions between growth factors and their receptors.
Ämnesord
- NATURVETENSKAP -- Biologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences (hsv//eng)
Nyckelord
- heparan sulfates
- glycosaminoglycan
- glycocalyx
- molecular dynamics simulation
- glycosylphosphatidylinositol
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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