Comparison of solid-state dipolar couplings and solution relaxation data provides insight into protein backbone dynamics

J Am Chem Soc. 2010 Apr 14;132(14):5015-7. doi: 10.1021/ja100645k.

Abstract

Analyses of solution (15)N relaxation data and solid-state (1)H(N)-(15)N dipolar couplings from a small globular protein, alpha-spectrin SH3 domain, produce a surprisingly similar pattern of order parameters. This result suggests that there is little or no ns-mus dynamics throughout most of the sequence and, in particular, in the structured portion of the backbone. At the same time, evidence of ns-mus motions is found in the flexible loops and termini. These findings, corroborated by the MD simulations of alpha-spectrin SH3 in a hydrated crystalline environment and in solution, are consistent with the picture of protein dynamics that has recently emerged from the solution studies employing residual dipolar couplings.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Protein Conformation
  • Solutions
  • Spectrin / chemistry*
  • Thermodynamics*
  • src Homology Domains

Substances

  • Solutions
  • Spectrin