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Molecular dynamics simulation of the transmembrane subunit of BtuCD in the lipid bilayer |
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| Authors: | TingGuang Sun Ming Liu WeiZu Chen CunXin Wang |
| Institution: | SUN TingGuang1,2,LIU Ming1,CHEN WeiZu1 & WANG CunXin1 1College of Life Science , Bioengineering,Beijing University of Technology,Beijing 100124,China,2Department of Biological , Chemical Engineering,Guangxi University of Technology,Liuzhou 545006 |
| Abstract: | Based on the crystal structure of the vitamin B12 transporter protein of Escherichia coli(BtuCD) a system consisting of the BtuCD transmembrane domain(BtuC) and the palmitoyloleoyl phosphatidylcholine(POPC) lipid bilayer was constructed in silica,and a more-than-57-nanosecond molecular dynamics(MD) simulation was performed on it to reveal the intrinsic functional motions of BtuC.The results showed that a stable protein-lipid bilayer was obtained and the POPC lipid bilayer was able to adjust its thickness to... |
| Keywords: | BtuCD POPC functional motion principal component analysis |
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