| Autor: |
Christoph, Kluge, Matthias, Pöhnl, Rainer A, Böckmann |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Biophysical Journal. 121:671-683 |
| ISSN: |
0006-3495 |
| DOI: |
10.1016/j.bpj.2022.01.029 |
| Popis: |
The (local) curvature of cellular membranes acts as a driving force for the targeting of membrane-associated proteins to specific membrane domains, as well as a sorting mechanism for transmembrane proteins, e.g., by accumulation in regions of matching spontaneous curvature. The latter measure was previously experimentally employed to study the curvature induced by the potassium channel KvAP and by aquaporin AQP0. However, the direction of the reported spontaneous curvature levels as well as the molecular driving forces governing the membrane curvature induced by these integral transmembrane proteins could not be addressed experimentally. Here, using both coarse-grained and atomistic molecular dynamics (MD) simulations, we report induced spontaneous curvature values for the homologous potassium channel Kv 1.2/2.1 Chimera (KvChim) and AQP0 embedded in unrestrained lipid bicelles that are in very good agreement with experiment. Importantly, the direction of curvature could be directly assessed from our simulations: KvChim induces a strong positive membrane curvature (≈0.036 nm |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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