6-顺式和6-反式白三烯B4-钙复合物的构象分析
Conformational analysis of 6-cis- and 6-trans-leukotriene B4-calcium complexes.
作者信息
Brasseur R, Deleers M
出版信息
Proc Natl Acad Sci U S A. 1984 Jun;81(11):3370-4. doi: 10.1073/pnas.81.11.3370.
Abstract
We present a computational description of the conformation of a pair of two isomeric molecules (6-cis-and 6-trans-leukotriene B4) forming a complex with one calcium ion. Our theoretical prediction of the membrane-water interface conformation and of the bulk lipid phase conformation of the two different isomeric complexes are in excellent agreement with experimental data on the leukotriene-mediated calcium ionophoresis in liposomes. The two isomers lead to vastly different conformations in the presence of Ca2+, and the most probable conformation of the permeant species shows a globular conformation able to cross a lipid membrane.
摘要
我们给出了一对与一个钙离子形成复合物的两种异构分子（6-顺式和6-反式白三烯B4）构象的计算描述。我们对两种不同异构复合物的膜-水界面构象和本体脂质相构象的理论预测与脂质体中白三烯介导的钙离子载体实验数据高度吻合。在Ca2+存在下，这两种异构体导致截然不同的构象，渗透物种最可能的构象显示出能够穿过脂质膜的球状构象。
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