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根据3JHα、Hβ和3HN、Hβ偶合常数确定FKBP与子囊霉素结合时的立体特异性归属和chi 1旋转异构体。

Stereospecific assignments and chi 1 rotamers for FKBP when bound to ascomycin from 3JH alpha,H beta and 3HN,H beta coupling constants.

作者信息

Xu R X, Olejniczak E T, Fesik S W

机构信息

Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, IL 60064.

出版信息

FEBS Lett. 1992 Jun 29;305(2):137-43. doi: 10.1016/0014-5793(92)80881-g.

DOI:10.1016/0014-5793(92)80881-g
PMID:1377648
Abstract

3JH alpha,H beta and 3JN,H beta coupling constants were measured for isotopically labeled FKBP when bound to the immunosuppressant, ascomycin, using a 1H-coupled 3D HCCH-TOCSY and 15N-coupled 3D HSQC-TOCSY experiment, respectively. From an analysis of these two sets of coupling constants, stereospecific beta-proton assignments and chi 1 rotamers for FKBP have been obtained. All of the chi 1 rotamers were consistent with the chi 1 angles measured in the X-ray crystal structure of the FKBP/FK506 complex, suggesting that the structures of the two complexes are similar.

摘要

当同位素标记的FKBP与免疫抑制剂子囊霉素结合时，分别使用1H耦合的3D HCCH - TOCSY和15N耦合的3D HSQC - TOCSY实验测量了3JHα、Hβ和3JN、Hβ耦合常数。通过对这两组耦合常数的分析，获得了FKBP的立体特异性β - 质子归属和χ1旋转异构体。所有的χ1旋转异构体都与FKBP/FK506复合物X射线晶体结构中测量的χ1角一致，这表明这两种复合物的结构相似。

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Stereospecific assignments and chi 1 rotamers for FKBP when bound to ascomycin from 3JH alpha,H beta and 3HN,H beta coupling constants.根据3JHα、Hβ和3HN、Hβ偶合常数确定FKBP与子囊霉素结合时的立体特异性归属和chi 1旋转异构体。
FEBS Lett. 1992 Jun 29;305(2):137-43. doi: 10.1016/0014-5793(92)80881-g.
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