Side Chain Torsional Angles and Rotational Isomerism of Oxytocin in Aqueous Solution

Herman R. Wyssbrod; Alberto Ballardin; I. L. Schwartz; Roderich Walter; Georges Van Binst; William A. Gibbons; William C. Agosta; F. H. Field; David Cowburn

doi:10.1021/ja00458a008

Side Chain Torsional Angles and Rotational Isomerism of Oxytocin in Aqueous Solution

Herman R. Wyssbrod, Alberto Ballardin, I. L. Schwartz, Roderich Walter, Georges Van Binst, William A. Gibbons, William C. Agosta, F. H. Field, David Cowburn

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

Proton NMR spectra of oxytocin in aqueous solution over the temperature range 0-60 °C were measured, and the vicinal coupling constants and chemical shifts of α and β protons and their temperature dependencies were derived. The possible fixed dihedral angles of the Cα-Cβ bonds in the cystyl region of the ring and the populations of several interconverting staggered rotamers were calculated. The small temperature dependencies suggest that there are no marked changes in conformation over the temperature range studied. These results add to our knowledge of the dynamic conformation of oxytocin in solution and are useful in considering possible biologically active conformers.

Original language	English (US)
Pages (from-to)	5273-5276
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	99
Issue number	16
DOIs	https://doi.org/10.1021/ja00458a008
State	Published - 1977
Externally published	Yes

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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title = "Side Chain Torsional Angles and Rotational Isomerism of Oxytocin in Aqueous Solution",

abstract = "Proton NMR spectra of oxytocin in aqueous solution over the temperature range 0-60 °C were measured, and the vicinal coupling constants and chemical shifts of α and β protons and their temperature dependencies were derived. The possible fixed dihedral angles of the Cα-Cβ bonds in the cystyl region of the ring and the populations of several interconverting staggered rotamers were calculated. The small temperature dependencies suggest that there are no marked changes in conformation over the temperature range studied. These results add to our knowledge of the dynamic conformation of oxytocin in solution and are useful in considering possible biologically active conformers.",

author = "Wyssbrod, {Herman R.} and Alberto Ballardin and Schwartz, {I. L.} and Roderich Walter and Binst, {Georges Van} and Gibbons, {William A.} and Agosta, {William C.} and Field, {F. H.} and David Cowburn",

year = "1977",

doi = "10.1021/ja00458a008",

language = "English (US)",

volume = "99",

pages = "5273--5276",

journal = "Journal of the American Chemical Society",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Side Chain Torsional Angles and Rotational Isomerism of Oxytocin in Aqueous Solution

AU - Wyssbrod, Herman R.

AU - Ballardin, Alberto

AU - Schwartz, I. L.

AU - Walter, Roderich

AU - Binst, Georges Van

AU - Gibbons, William A.

AU - Agosta, William C.

AU - Field, F. H.

AU - Cowburn, David

PY - 1977

Y1 - 1977

N2 - Proton NMR spectra of oxytocin in aqueous solution over the temperature range 0-60 °C were measured, and the vicinal coupling constants and chemical shifts of α and β protons and their temperature dependencies were derived. The possible fixed dihedral angles of the Cα-Cβ bonds in the cystyl region of the ring and the populations of several interconverting staggered rotamers were calculated. The small temperature dependencies suggest that there are no marked changes in conformation over the temperature range studied. These results add to our knowledge of the dynamic conformation of oxytocin in solution and are useful in considering possible biologically active conformers.

AB - Proton NMR spectra of oxytocin in aqueous solution over the temperature range 0-60 °C were measured, and the vicinal coupling constants and chemical shifts of α and β protons and their temperature dependencies were derived. The possible fixed dihedral angles of the Cα-Cβ bonds in the cystyl region of the ring and the populations of several interconverting staggered rotamers were calculated. The small temperature dependencies suggest that there are no marked changes in conformation over the temperature range studied. These results add to our knowledge of the dynamic conformation of oxytocin in solution and are useful in considering possible biologically active conformers.

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JF - Journal of the American Chemical Society

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ER -

Side Chain Torsional Angles and Rotational Isomerism of Oxytocin in Aqueous Solution

Abstract

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