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利用270兆赫和600兆赫模拟质子磁共振谱中的标量耦合常数确定生长抑素的构象。

Conformation of somatostatin using scalar coupling constants from 270 and 600 MHz simulated proton magnetic resonance spectra.

作者信息

Buffington L A, Garsky V, Rivier J, Gibbons W A

出版信息

Biophys J. 1983 Mar;41(3):299-304. doi: 10.1016/S0006-3495(83)84442-7.

DOI:10.1016/S0006-3495(83)84442-7
PMID:6132629
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC1329184/
Abstract

The conformation of the 14 amino acid peptide hormone somatostatin in aqueous solution was investigated through a proton magnetic resonance (PMR) scalar coupling analysis. Experiments were performed at two fields, 270 and 600 MHz, and included double and triple resonance difference scalar decoupling, resolution enhancement and computer simulation. The agreement between simulated and observed spectra at both fields provided support for the correctness of the analysis. The resultant scalar coupling constants, 3J alpha H-NH and 3J alpha B, gave information on the backbone (phi) and side chain (chi 1) torsional angles, respectively, which eliminated either of the proposed conformations of somatostatin as describing a predominant conformer of the molecule in solution under our conditions.

摘要

通过质子磁共振（PMR）标量耦合分析研究了14氨基酸肽激素生长抑素在水溶液中的构象。实验在270和600兆赫两个磁场下进行，包括双共振和三共振差标量去耦、分辨率增强和计算机模拟。两个磁场下模拟光谱与观测光谱之间的一致性为分析的正确性提供了支持。所得的标量耦合常数3JαH-NH和3JαB分别给出了主链（φ）和侧链（χ1）扭转角的信息，这排除了在我们的条件下生长抑素所提出的两种构象中的任何一种作为溶液中分子主要构象的描述。

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本文引用的文献

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The conformational properties of the peptide hormone somatostatin (III). Assignment and analysis of the 1H and 13C high resolution NMR spectra of somatostatin in aqueous solution.肽激素生长抑素的构象性质（III）。水溶液中生长抑素的¹H和¹³C高分辨率核磁共振谱的归属与分析。
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The reverse turn as a polypeptide conformation in globular proteins.反向转角作为球状蛋白质中的一种多肽构象。
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Proton nuclear magnetic resonance in aqueous solutions.水溶液中的质子核磁共振。
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Measurement and calibration of peptide group hydrogen-deuterium exchange by ultraviolet spectrophotometry.
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10
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