Conformation and molecular dynamics calculations on uteroglobin fragment 18-47

Biopolymers. 1994 Jun;34(6):773-82. doi: 10.1002/bip.360340609.

Abstract

The conformational properties of fragment 18-47 of rabbit uteroglobin in aqueous solution containing SDS micelles were investigated by two-dimensional nmr spectroscopy and molecular dynamics calculations. The fragment comprises helices II and III and the beta-turn connecting the two helices. The nmr results and nmr-restrained molecular dynamics calculations showed that in the isolated fragment the elements of secondary structure present in the intact protein are preserved only in part. Specifically, a well-defined alpha-helix was found in the sequence 33-44, corresponding to helix III of uteroglobin, while the regions of helix II and beta-turn are characterized by high flexibility in the fragment.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Magnetic Resonance Spectroscopy / methods
  • Mathematical Computing
  • Molecular Sequence Data
  • Peptide Fragments / chemistry*
  • Protein Conformation
  • Protein Structure, Secondary
  • Rabbits
  • Solutions
  • Thermodynamics
  • Uteroglobin / chemistry*

Substances

  • Peptide Fragments
  • Solutions
  • Uteroglobin