Molecular modeling of two hexapeptide repeat motifs of HMW glutenin subunits

OLĞAR H., Yasar F., Celik T., Celik S., Koksel H.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.12, no.2, pp.281-292, 2001 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12 Issue: 2
  • Publication Date: 2001
  • Doi Number: 10.1142/s0129183101001675
  • Journal Name: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.281-292
  • Keywords: HMW glutenin, molecular modeling of secondary structures, multicanonical simulation, proteins, peptides, energy minimization, HEXAPLOID BREAD WHEAT, TRITICUM-AESTIVUM L, CONFORMATION, NUCLEOTIDE, GENES, SIMULATIONS, TRANSITIONS, ELASTICITY, SEQUENCES, PROTEINS
  • Ankara University Affiliated: No

Abstract

The three-dimensional structures of two hexapeptide repeat motifs (PGQGQQ and SGQGQQ, in one letter code) in the repetitive central domain of HMW glutenin subunits are investigated by using the multicanonical simulation procedure. Ramachandran plots were prepared and analyzed to predict the relative occurrence probabilities of beta -turn and gamma -turn structures and helical state. Structural predictions of PGQGQQ repeat motif indicated the presence of high level of beta -turns and considerable level of gamma -turns. Simulations of the repeat motifs in the repetitive central domain of HMW glutenin subunits indicated that these structures take important part in the three-dimensional structures of repeat motifs.