不同溶剂中质子磁共振归属的关联方法：催产素和赖氨酸加压素从二甲亚砜到水的构象转变
Method for correlation of proton magnetic resonance assignments in different solvents: conformational transition of oxytocin and lysine vasopressin from dimethylsulfoxide to water.
作者信息
Glickson J D, Urry D W, Walter R
出版信息
Proc Natl Acad Sci U S A. 1972 Sep;69(9):2566-9. doi: 10.1073/pnas.69.9.2566.
Abstract
The peptide amide, primary carboxamide, and aromatic proton resonances were assigned to specific hydrogens of oxytocin and lysine vasopressin (Lys-VP) in water at 23 degrees at pH 2.5 and 4.2, respectively. We started with the spectral assignments of oxytocin and Lys-VP determined in deuterated dimethylsulfoxide (Me(2)SO) and monitored the course of each of these resonances as the proportion of water to Me(2)SO was gradually increased. Changes in each of the two hormones in chemical shifts and in some coupling constants indicate that conformational alterations occur in both oxytocin and Lys-VP during the solvent transition from Me(2)SO to water. This study is a specific application of a general method for correlating spectral assignments in different solvents and for monitoring conformational changes accompanying solvent transitions. Application of this technique requires only that the solvent components be miscible over the entire transitional range, that spectral changes of the solute be simple enough to follow, and that the associated structural changes of the solute be "rapid on the proton magnetic resonance time-scale."
摘要
在23摄氏度、pH值分别为2.5和4.2的水中，将肽酰胺、伯羧酰胺和芳香质子共振分别归属于催产素和赖氨酸加压素（Lys-VP）的特定氢原子。我们从在氘代二甲基亚砜（Me₂SO）中确定的催产素和Lys-VP的光谱归属开始，随着水与Me₂SO的比例逐渐增加，监测这些共振中的每一个的变化过程。两种激素在化学位移和一些耦合常数方面的变化表明，在从Me₂SO到水的溶剂转变过程中，催产素和Lys-VP都发生了构象改变。这项研究是一种通用方法的具体应用，该方法用于关联不同溶剂中的光谱归属以及监测伴随溶剂转变的构象变化。应用这项技术仅要求溶剂成分在整个转变范围内可混溶，溶质的光谱变化足够简单以便跟踪，并且溶质的相关结构变化在质子磁共振时间尺度上是“快速的”。
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Method for correlation of proton magnetic resonance assignments in different solvents: conformational transition of oxytocin and lysine vasopressin from dimethylsulfoxide to water.不同溶剂中质子磁共振归属的关联方法：催产素和赖氨酸加压素从二甲亚砜到水的构象转变
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