Motional dynamics of residues in a beta-hairpin peptide measured by 13C-NMR relaxation

Protein Science : a Publication of the Protein Society
M Ramirez-AlvaradoK H Mayo

Abstract

Structurally characterizing partially folded peptides is problematic given the nature of their transient conformational states. 13C-NMR relaxation data can provide information on the geometry of bond rotations, motional restrictions, and correlated bond rotations of the backbone and side chains and, therefore, is one approach that is useful to assess the presence of folded structure within a conformational ensemble. A peptide 12mer, R1GITVNG7KTYGR12, has been shown to partially fold in a relatively stable beta-hairpin conformation centered at NG. Here, five residues, G2, V5, G7, Y10, G11, were selectively 13C-enriched, and 13C-NMR relaxation experiments were performed to obtain auto- and cross-correlation motional order parameters, correlation times, bond rotation angular variances, and bond rotational correlation coefficients. Our results indicate that, of the three glycines, G7 within the hairpin beta-turn displays the most correlated phi(t),psi(t) rotations with its axis of rotation bisecting the angle defined by the H-C-H bonds. These positively correlated bond rotations give rise to "twisting" type motions of the HCH group. V5 and Y10 phi,psi bond rotations are also positively correlated, with their CbetaCalphaH groups und...Continue Reading

References

Dec 1, 1977·Biophysical Journal·K KinositaA Ikegami
Apr 1, 1989·International Journal of Peptide and Protein Research·C G FieldsT A Cross
Jul 11, 1985·Nature·B L Sibanda, J M Thornton
Jul 1, 1996·Nature Structural Biology·M Ramírez-AlvaradoL Serrano
Feb 1, 1997·Protein Science : a Publication of the Protein Society·V A DaraganK H Mayo
Feb 12, 1998·Journal of Molecular Biology·M Ramírez-AlvaradoL Serrano
May 2, 1998·Journal of Magnetic Resonance·V A Daragan, K H Mayo
Mar 31, 1998·Current Opinion in Structural Biology·F BlancoL Serrano

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Citations

Apr 13, 1999·Bioorganic & Medicinal Chemistry·M Ramírez-AlvaradoL Serrano
Jan 11, 2001·Protein Science : a Publication of the Protein Society·D IdiyatullinK H Mayo
Nov 13, 2004·Protein Science : a Publication of the Protein Society·Virginia A GoehlertMartin J Stone
Apr 30, 2003·Protein Science : a Publication of the Protein Society·Djaudat IdiyatullinKevin H Mayo
Oct 27, 2004·Journal of Magnetic Resonance·Djaudat IdiyatullinKevin H Mayo

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