STRUCTURE OF AN ISOLATED GRAMICIDIN-A DOUBLE HELICAL SPECIES BY HIGH-RESOLUTION NUCLEAR-MAGNETIC-RESONANCE
STRUCTURE OF AN ISOLATED GRAMICIDIN-A DOUBLE HELICAL SPECIES BY HIGH-RESOLUTION NUCLEAR-MAGNETIC-RESONANCE
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DOI：
10.1016/0022-2836(92)91055-t
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发表时间：
1992-08-20
影响因子：
5.6
通讯作者：
CROSS, TA
中科院分区：
文献类型：
--
作者：
PASCAL, SM;CROSS, TA
用高压液相色谱法从短杆菌肽A的二氧六环溶液中分离出一种构象类型，并用圆二色谱和二维质子核磁共振对其进行了表征。双量子滤波二维相关光谱，二维home-hartman-Hahn光谱和二维核Overhauser效应谱在500 MHz的被用来获得几乎完整的质子分配和产生192个距离约束。协议，以确定国家的聚集，单体特定的分配核Overhauser增强值，氢键模式和螺旋手性进行了说明。使用距离几何/模拟退火程序来生成明确定义的骨架和侧链结构。分离的物种是一个右手缠绕的双螺旋，每转约5.7个残基。还指定了螺旋尺寸的唯一值。
A conformational species of gramicidin A has been isolated in dioxane by high pressure liquid chromatography and characterized by circular dichroism and two-dimensional proton nuclear magnetic resonance. Double-quantum filtered two-dimensional correlation spectroscopy, two-dimensional homonuclear Hartman Hahn spectroscopy and two-dimensional nuclear Overhauser effect spectra at 500 MHz were used to obtain virtually complete proton assignments and produce 192 distance constraints. Protocols to determine the state of aggregation, monomer-specific assignment of nuclear Overhauser enhancement values, hydrogen bonding pattern and helix handedness are described. A distance geometry/ simulated annealing routine was used to generate well-defined backbone and side-chain structures. The species isolated is a right-handed intertwined double helix, with approximately 5·7 residues per turn. Unique values for helical dimensions are also specified.