Use of a new label 13C=18O in the determination of a structural model of phospholamban in a lipid bilayer.: Spatial restraints resolve the ambiguity arising from interpretations of mutagenesis data
Use of a new label 13C=18O in the determination of a structural model of phospholamban in a lipid bilayer.: Spatial restraints resolve the ambiguity arising from interpretations of mutagenesis data
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DOI：
10.1006/jmbi.2000.3885
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发表时间：
2000-07-21
影响因子：
5.6
通讯作者：
Arkin, IT
中科院分区：
文献类型：
--
作者：
Torres, J;Adams, PD;Arkin, IT
结合ATR-FTIR定点二向色性实验数据和在分子动力学模拟过程中所得到的约束条件，推导了五聚体磷蛋白(PLB)在脂质双层中的结构模型。合成了PLB(残基24-52)，在42和43位加入了一个新的标记1-C-13=O-18。我们不仅确定了螺旋的倾斜度，10(+/-6)度，而且还确定了跨膜片段的相对取向，其中L42的omega角为-32(+/-10)度。在螺旋线倾斜方向上，该角度被视为零。PLB是一个简单的测试案例，其中已应用定点定向二向色性来解决现有突变数据引起的不确定性。研究结果明确指出了PLB的单一结构模型。(C)2000年学术出版社。
A structural model of pentameric phospholamban (Plb) in a lipid bilayer has been derived using a combination of experimental data, obtained from ATR-FTIR site-directed dichroism, and the implementation of the resulting restraints during a molecular dynamics simulation. Plb (residues 24-52) has been synthesised incorporating a new label, 1-C-13=O-18, at residues 42 and 43. We have not only determined the tilt of the helices, 10(+/-6) degrees, but also the relative orientation of the transmembrane segments, with an omega angle of -32(+/-10) degrees for L42. This angle is taken as zero in the direction of the helix tilt. Plb is a simple test case where site-directed dichroism has been applied to resolve the indeterminacy arising from the mutagenesis data available. The results presented point specifically to a single structural model for Plb. (C) 2000 Academic Press.