利用时间依赖型饱和转移核Overhauser效应确定酶抑制剂复合物中低场质子共振峰的归属。

The assignment of downfield proton resonances in an enzyme inhibitor complex using time-dependent saturation transferred NOEs.

作者信息

Deng Hua, Cahill Sean, Kurz Linda, Callender Robert

机构信息

Department of Biochemistry, Albert Einstein College of Medicine, 1300 Morris Park Avenue, Bronx, New York 10461, USA.

出版信息

J Am Chem Soc. 2004 Feb 25;126(7):1952-3. doi: 10.1021/ja0378714.

DOI:10.1021/ja0378714

PMID:14971925

Abstract

We have used time-dependent saturation transferred NOE (STNOE) measurements to assign two downfield resonances in the proton spectrum of an adenosine deaminase-purine riboside mixture. Our results show that this method can be used to detect structural changes that occur upon inhibitor binding to the enzyme and to determine which protons of the bound inhibitor are strongly hydrogen bonded in the complex.

摘要

我们已使用时间依赖性饱和转移NOE（STNOE）测量方法来归属腺苷脱氨酶-嘌呤核苷混合物质子谱中的两个低场共振峰。我们的结果表明，该方法可用于检测抑制剂与酶结合时发生的结构变化，并确定结合态抑制剂中哪些质子在复合物中形成了强氢键。