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Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin αVβ3
- Abstract The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these mechanisms by free and steered molecular dynamics simulations. For the first time, constant velocity pulling on the complete integrin molecule inside a dipalmitoyl‐phosphatidylcholine membrane is conducted. From the results, the most likely mechanism for inside‐out and outside‐in signaling is the switchblade model with further separation of the transmembrane helices.
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| Author: | Martin Kulke, Walter Langel |
|---|---|
| URN: | urn:nbn:de:gbv:9-opus-40261 |
| DOI: | https://doi.org/10.1002/prot.25849 |
| Parent Title (English): | Proteins: Structure, Function, and Bioinformatics |
| Publisher: | Wiley |
| Place of publication: | Hoboken, NJ |
| Document Type: | Article |
| Language: | English |
| Date of first Publication: | 2020/04/02 |
| Release Date: | 2020/12/01 |
| Tag: | dihedral principal component analysis; extracellular matrix; membrane protein; steered molecular dynamics; talin |
| Volume: | 88 |
| Issue: | 5 |
| First Page: | 679 |
| Last Page: | 688 |
| Faculties: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Biochemie |
| Licence (German): |  Creative Commons - Namensnennung |