Vibrational studies of the disulfide group in proteins. VI. General correlations of SS and CS stretch frequencies with disulfide bridge geometry.

Abstract:

:Normal mode calculations have been done on a range of disulfide bridge conformations in order to determine how the SS stretch and CS stretch frequencies depend on structure. In addition to varying the C alpha C beta SS and NC alpha C beta S dihedral angles, we have varied the phi, psi of the adjoining peptide groups since we have shown that these also influence the above frequencies. In order to obtain structural information from the observed frequencies, we have done a study of the conformational states found in 92 disulfide bridges in 25 known protein structures. This permits making a statistically based correlation between CS stretch frequencies and the possible contributing conformers.

journal_name

Biopolymers

journal_title

Biopolymers

authors

Qian W,Krimm S

doi

10.1002/bip.360320813

subject

Has Abstract

pub_date

1992-08-01 00:00:00

pages

1025-33

issue

8

eissn

0006-3525

issn

1097-0282

journal_volume

32

pub_type

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