维吉尼亚霉素S的溶液构象。II. 别羟基维吉尼亚霉素S和脱氧维吉尼亚霉素S的构象

Solution conformation of virginiamycin S. II. The conformation of allohydroxy- and deoxyvirginiamycin S.

作者信息

Callens R E, Anteunis M J

出版信息

Biochim Biophys Acta. 1979 Apr 25;577(2):324-36. doi: 10.1016/0005-2795(79)90036-9.

Abstract

The experimental results of 1H- and 13C-NMR studies of allohydroxy-, and of deoxyvirginiamycin S strongly confirm the conformation that was proposed earlier for the parent virginiamycin S (Anteunis, Callens and Tavernier (1975) Eur. J. Biochem. 58, 259--268). The changing nature of dipole-induced dipole interaction is responsible for the specific gradually increasing libration of the N-MePhe side chain along the series virginiamycin S, allohydroxy-, deoxyvirginiamycin S. Previous methods for the estimation of rotameric populations around the alpha, beta bonds are critically evaluated and compared to the present results obtained from interpretation of geminal 2J (beta) coupling constants.

摘要

对别羟基维吉尼亚霉素S和脱氧维吉尼亚霉素S进行的¹H-和¹³C-NMR实验研究结果有力地证实了之前针对母体维吉尼亚霉素S所提出的构象（Anteunis、Callens和Tavernier（1975年），《欧洲生物化学杂志》58卷，259 - 268页）。偶极-诱导偶极相互作用性质的变化是导致维吉尼亚霉素S、别羟基维吉尼亚霉素S、脱氧维吉尼亚霉素S系列中N-甲基苯丙氨酸侧链特定逐渐增加的振动的原因。对之前估算α、β键周围旋转异构体群体的方法进行了批判性评估，并与从偕偶²J(β)耦合常数解释中获得的当前结果进行了比较。