分子动力学模拟表明，AEDANS 是一种惰性荧光探针，可用于研究膜蛋白。
Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins.
机构信息
Laboratory of Biophysics, Wageningen University, P.O. Box 8128, 6700 ET, Wageningen, The Netherlands.
出版信息
Eur Biophys J. 2010 Jan;39(2):229-39. doi: 10.1007/s00249-009-0527-9. Epub 2009 Aug 11.
Computer simulations were carried out of a number of AEDANS-labeled single cysteine mutants of a small reference membrane protein, M13 major coat protein, covering 60% of its primary sequence. M13 major coat protein is a single membrane-spanning, alpha-helical membrane protein with a relatively large water-exposed region in the N-terminus. In 10-ns molecular dynamics simulations, we analyze the behavior of the AEDANS label and the native tryptophan, which were used as acceptor and donor in previous FRET experiments. The results indicate that AEDANS is a relatively inert environmental probe that can move unhindered through the lipid membrane when attached to a membrane protein.
进行了计算机模拟，模拟了一小部分参考膜蛋白 M13 主要外壳蛋白的一个带 AEDANS 标签的单个半胱氨酸突变体，该蛋白覆盖了其主要序列的 60%。M13 主要外壳蛋白是一种单跨膜、α-螺旋膜蛋白，其 N 端有一个相对较大的暴露于水中的区域。在 10 纳秒分子动力学模拟中，我们分析了 AEDANS 标记物和天然色氨酸的行为，它们在之前的 FRET 实验中被用作供体和受体。结果表明，当与膜蛋白结合时，AEDANS 是一种相对惰性的环境探针，可以不受阻碍地通过脂质膜移动。
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