A topographically and conformationally constrained, spin-labeled, alpha-amino acid: crystallographic characterization in peptides

J Pept Res. 2005 Jun;65(6):564-79. doi: 10.1111/j.1399-3011.2005.00258.x.

Abstract

2,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid (TOAC) is a topographically and conformationally restricted, nitroxide containing, C(alpha)-tetrasubstituted alpha-amino acid. Here, we describe the molecular and crystal structures, as determined by X-ray diffraction analyses, of a TOAC terminally protected derivative, the cyclic dipeptide c(TOAC)(2).1,1,1,3,3,3-hexafluoropropan-2-ol (HFIP) solvate, and five TOAC-containing, terminally protected, linear peptides ranging in length from tetra- to hepta-peptides. Incipient and fully developed, regular or distorted 3(10)-helical structures are formed by the linear peptides. A detailed discussion on the average geometry and preferred conformation for the TOAC piperidine ring is also reported. The X-ray diffraction structure of an intramolecularly cyclized side product resulting from a C-activated TOAC residue has also been determined.

MeSH terms

  • Crystallography, X-Ray*
  • Cyclic N-Oxides / chemistry*
  • Peptides / chemistry*
  • Protein Conformation
  • Spin Labels

Substances

  • Cyclic N-Oxides
  • Peptides
  • Spin Labels
  • 2,2,6,6-tetramethylpiperidine-N-oxide-4-amino-4-carboxylic acid