Stereospecific assignments and χ1 rotamers for FKBP when bound to ascomycin from 3 J Hα,Hβ and 3 J N,Hβ coupling constants

FEBS Letters

Fesik, Stephen W.¹  Olejniczak, Edward T.¹  Xu, Robert X.¹ 

[1] Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, IL 60064, USA

关键词: FKBP;    Ascomycin;    Coupling constant;    NMR;    NOE;    nuclear Overhauser effect;    FKBP;    FK506 binding protein;    3D HSQC-TOCSY;    three-dimensional heteronuclear single quantum correlation-total correlation spectroscopy;    3D HCCH-TOCSY;    three-dimensional 1H-13C-13C-1H correlation via 13C total correlation spectroscopy;    E.COSY;    exclusive correlation spectroscopy;   

DOI  :  10.1016/0014-5793(92)80881-G

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

³ J _Hα,_Hβ and ³ J _N,Hβ 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 β-proton assignments and χ1 rotamers for FKBP have been obtained. All of the χ1 rotamers were consistent with the χ1 angles measured in the X-ray crystal structure of the FKBP/FK506 complex, suggesting that the structures of the two complexes are similar.

【 授权许可】

Unknown