4'-氰基磷酸吡哆醛在赖氨酸5,6-氨基变位酶反应中对难以捉摸的环状中间体自由基进行实验检测方面展现出更好的前景。

4'-CyanoPLP presents better prospect for the experimental detection of elusive cyclic intermediate radical in the reaction of lysine 5,6-aminomutase.

作者信息

Maity Amarendra Nath, Ke Shyue-Chu

机构信息

Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan.

出版信息

Biochem Biophys Res Commun. 2015 Feb 6;457(2):161-4. doi: 10.1016/j.bbrc.2014.12.076. Epub 2014 Dec 24.

DOI:10.1016/j.bbrc.2014.12.076

PMID:25542154

Abstract

The results of our calculations suggest that the reaction of 4'-cyanoPLP with lysine 5,6-aminomutase offers better prospect for the experimental detection of elusive cyclic azacyclopropylcarbinyl radical (I), which is proposed to be a key intermediate in the reaction of pyridoxal-5'-phosphate dependent radical aminomutases. We have calculated the corresponding hyperfine coupling constants (HFCCs) for (14)N and (13)C of cyano group using several basis sets to help the characterization of 4'-cyanoI.

摘要

我们的计算结果表明，4'-氰基磷酸吡哆醛与赖氨酸5,6-氨基变位酶的反应为难以捉摸的环氮杂环丙基自由基（I）的实验检测提供了更好的前景，该自由基被认为是磷酸吡哆醛依赖性自由基氨基变位酶反应中的关键中间体。我们使用了几种基组计算了氰基中（14）N和（13）C的相应超精细偶合常数（HFCCs），以帮助对4'-氰基I进行表征。