Molecular modeling of various peptide sequences of gliadins and low-molecular-weight glutenin subunits

Nahrung. 2003 Aug;47(4):238-42. doi: 10.1002/food.200390056.

Abstract

The contribution of the three-dimensional structures of one heptapeptide (PQPQPFP) sequence and one pentapeptide (PQQPY) repeat sequence of alpha/beta-gliadins, one heptapeptide (PQQPFPQ) repeat sequence of gamma-gliadins, two heptapeptide (PQQPPFS and QQQQPVL) repeat motifs of low-molecular-weight (LMW) subunits and a tetrapeptide sequence in polyQ region of S-rich prolamins to their conformations are investigated by using the recently developed multicanonical simulation procedure. Ramachandran plots were prepared and analysed to predict the relative occurrence probabilities of gamma-tutn, gamma-turn, and helical structures. The probability of inverse 7-turn was generally higher than that of beta-turns in all sequences investigated. Occurrence probability of helical structure in the repetitive domain of gliadins was low. Structural predictions of QQQQPVL sequence of LMW-glutenin subunits and QQQQ sequence in the polyQ region of S-rich prolamins indicate the presence of helical structures with the probability of >20%. The probability of helical structure significantly decreased around 100 degrees C.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Gliadin / chemistry*
  • Glutens / analogs & derivatives*
  • Glutens / chemistry*
  • Models, Molecular
  • Molecular Structure
  • Molecular Weight
  • Protein Structure, Secondary
  • Structural Homology, Protein

Substances

  • Glutens
  • Gliadin
  • glutenin