書誌事項
- タイトル別名
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- Three Dimensional Structure and Dynamics of Trehalose Transporter TRET1 in Polypedilum vanderplanki as Revealed by Computer Simulations
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抄録
Here the three-dimensional (3-D) structure of TRET1, a novel trehalose transporter from an anhydrobiotic insect, Polypedilum vanderplanki, was predicted by homology modeling in which the 3-D structure (1SUK) of GLUT1, glucose transporter from human was selected as a template. It was found that TRET1 has 12 transmembrane (TM) helices with an inward-facing conformation. Next, to explore the dynamics of the protein, we performed molecular dynamics (MD) simulation for the protein embedded in a hydrated phospholipid bilayer. The result of principal component analysis indicated that the protein has a hinge-bending motion, that is, the helices on the intracellular side come close or draw apart together. This dynamics may be essential for substrate uptake. Furthermore, we performed docking simulation combined with binding energy calculation to investigate the substrate selectivity of TRET1. As a result, it was found that trehalose more strongly binds to TRET1 than its isomer, isotrehalose, consistent with available experimental data.
収録刊行物
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- 低温生物工学会誌
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低温生物工学会誌 56 (1), 39-42, 2010
低温生物工学会
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詳細情報 詳細情報について
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- CRID
- 1390001205087331840
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- NII論文ID
- 110008662284
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- NII書誌ID
- AN10448734
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- ISSN
- 24241555
- 13407902
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- NDL書誌ID
- 10633324
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可