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Calibration of the angular dependence of the amide proton-C alpha proton coupling constants, 3JHN alpha, in a globular protein. Use of 3JHN alpha for identification of helical secondary structure.

Abstract：

:The vicinal amide proton-C alpha proton spin-spin coupling constants, JHN alpha, in the globular protein basic pancreatic trypsin inhibitor (BPTI) have been measured using phase-sensitive correlated spectroscopy at high digital resolution. In conjunction with the crystal structure of BPTI, these data were used to calibrate the correlation between 3JHN alpha and the dihedral angle phi. The resulting "BPTI curve" is 3JHN alpha = 6.4 cos2 theta - 1.4 cos theta + 1.9 (theta = [phi - 60 degrees]). It is further shown that measurement of the spin-spin couplings 3JHN alpha presents an independent, reliable method for identification of the location of helical structure in the amino acid sequence of proteins.

journal_name

J Mol Biol

journal_title

Journal of molecular biology

authors

Pardi A,Billeter M,Wüthrich K

doi

10.1016/0022-2836(84)90035-4

subject

Has Abstract

pub_date

1984-12-15 00:00:00

pages

741-51

issue

3

eissn

0022-2836

issn

1089-8638

pii

0022-2836(84)90035-4

journal_volume

180

pub_type

杂志文章

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