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Stereospecific assignments and χ1 rotamers for FKBP when bound to ascomycin from 3 J H α, H β and 3 J N,H β coupling constants
Author(s) -
Xu Robert X.,
Olejniczak Edward T.,
Fesik Stephen W.
Publication year - 1992
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/0014-5793(92)80881-g
Subject(s) - conformational isomerism , fkbp , stereospecificity , coupling constant , crystallography , proton , chemistry , stereochemistry , physics , nuclear physics , molecule , quantum mechanics , biochemistry , catalysis , organic chemistry
3 J H α, H β and 3 J N,H β coupling constants were measured for isotopically labeled FKBP when bound to the immunosuppressant, ascomycin, using a 1 H‐coupled 3D HCCH‐TOCSY and 15 N‐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.