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Conformational dependence of the vicinal proton coupling constant for the CαCβ bond in peptides

✍ Scribed by M. T. Cung; M. Marraud

Publisher
Wiley (John Wiley & Sons)
Year
1982
Tongue
English
Weight
680 KB
Volume
21
Category
Article
ISSN
0006-3525

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✦ Synopsis

Abstract

We use the nmr data concerning the C^α^HC^β^H fragment in eight peptides with rigid side chains to parametrize a Karplus correlation between the vicinal proton J~αβ~ coupling constant and the dihedral angle θ. When considering molecules containing the fragment C^α^H^α^C^β^H^β^H^β′^, the three‐dimensional structure of the model peptides does not need to be known with accurate precision, since each set of J~αβ~ and J~αβ′~ coupling constants is then related to the coefficients of the Karplus equation. A good correlation is observed with the Karplus equation,

which is in substantial agreement with the J~αβ~ coupling constants reported for rigid as well as rotating C^α^C^β^ bonds in peptides.

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