caa a22 4500 477135854 CHVBK 20180405111717.0 cr unu---uuuuu 170330e19971001xx s 000 0 eng 10.1023/A:1018340217891 doi (NATIONALLICENCE)springer-10.1023/A:1018340217891 The effects of guanidine hydrochloride on the 'random coil‘ conformations and NMR chemical shifts of the peptide series GGXGG [Elektronische Daten] [Kevin Plaxco, Craig Morton, Shaun Grimshaw, Jonathan Jones, Maureen Pitkeathly, Iain Campbell, Christopher Dobson] The effects of the commonly used denaturant guanidine hydrochloride(GuHCl) on the random coil conformations and NMR chemical shifts of theproteogenic amino acids have been characterized using the peptide seriesAc-Gly-Gly-X-Gly-Gly-NH2. The φ angle-sensitive couplingconstants, ROESY cross peak intensities and proline cis-trans isomerratios of a representative subset of these peptides are unaffected by GuHCl,which suggests that the denaturant does not significantly perturb intrinsicbackbone conformational preferences. A set of3JHNHα values is presented which agreewell with predictions of recently developed models of the random coil. Wehave also measured the chemical shifts of all 20 proteogenic amino acids inthese peptides over a range of GuHCl concentrations. The shifts exhibit alinear dependence on denaturant concentration and we report here correctionfactors for the calculation of ‘random coil' 1H chemicalshifts at any arbitrary denaturant concentration. Studies of arepresentative subset of peptides indicate that 13C and15N chemical shifts are also perturbed by the denaturant.These results should facilitate the application of chemical shift-basedanalytical techniques to the study of polypeptides in solution with GuHCl.The effects of the denaturant on the quality of NMR spectra and on chemicalshift referencing are also addressed. Kluwer Academic Publishers, 1997 Denatured protein nationallicence Folding nationallicence Proline isomerization nationallicence Coupling constants nationallicence Plaxco Kevin Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Morton Craig Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Grimshaw Shaun Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Jones Jonathan Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Pitkeathly Maureen Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Campbell Iain Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Dobson Christopher Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut Journal of Biomolecular NMR Kluwer Academic Publishers 10/3(1997-10-01), 221-230 0925-2738 10:3<221 1997 10 10858 https://doi.org/10.1023/A:1018340217891 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1018340217891 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Plaxco Kevin Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Morton Craig Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Grimshaw Shaun Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Jones Jonathan Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Pitkeathly Maureen Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Campbell Iain Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 700 1- Dobson Christopher Oxford Centre for Molecular Sciences, University of Oxford, New Chemistry Laboratory, South Parks Road, Oxford, OX1 3QT, U.K aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Kluwer Academic Publishers 10/3(1997-10-01), 221-230 0925-2738 10:3<221 1997 10 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer