Molecular dynamics discrimination of the conformational states of calmodulin through solid-state nanopores
| Autor: | Gang Hu, Hao Meng, Jing Tu, Zuhong Lu, Jiye Fu, Zunliang Wang, Yi Qiao |
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| Rok vydání: | 2020 |
| Předmět: |
0303 health sciences
Calmodulin biology Chemistry Silicon Compounds General Physics and Astronomy Biological macromolecule Ionic bonding 02 engineering and technology Molecular Dynamics Simulation 021001 nanoscience & nanotechnology Gyration Protein Structure Tertiary Nanopores 03 medical and health sciences Nanopore Molecular dynamics Protein structure biology.protein Biophysics Physical and Theoretical Chemistry 0210 nano-technology Ion channel 030304 developmental biology |
| Zdroj: | Physical Chemistry Chemical Physics. 22:19188-19194 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | As a type of biological macromolecule, the conformation of proteins dynamically changes in a solution, which often results in a change in their function. However, traditional biological assays have significant drawbacks in detecting the conformation properties of proteins. Alternatively, nanopores have potential advantages in this area, which can detect protein in high throughput and without labelling. Herein, we investigated the translocation of calmodulins through silicon nitride nanopores using molecular dynamics (MD) simulation. Initially, the calmodulins were fixed in the nanopore. Distinguished blocked ionic currents were obtained between the two forms of calmodulin. Next, in the translocation simulations, a prominent difference in time resolution was easily found between the two states of calmodulin by using the appropriate voltage and comparable size of pore to protein, rp/rg→ 1, 4.5 nm (where rp is the protein radius and rg is the gyration radius). These simulations on the nanoscale are helpful for developing Ca2+-sensitive ion channels and nanodevices. |
| Databáze: | OpenAIRE |
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