Publication no. C-2001-1001-04R |  VIEW ARTICLE

Molecular Modeling of Unusual Spiral Structure in Elastomeric Wheat Seed Protein.

O. Parchment (1), P. R. Shewry (2,3), A. S. Tatham (2), and D. J. Osguthorpe (1). (1) Molecular Graphics Unit, School of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK. (2) IACR-Long Ashton Research Station, Department of Agricultural Sciences, University of Bristol, Long Ashton, Bristol BS41 9AF, UK. (3) Corresponding author. Phone +44 (0) 1275 549330. Fax: +44 (0) 1275 394281. E-mail: <arthur.tatham@bbsrc.ac.uk> Cereal Chem. 78(6):658-662. Accepted July 2, 2001. Copyright 2001 American Association of Cereal Chemists, Inc.

The structure of the central repetitive domain of the high molecular weight glutenin subunits, a group of elastomeric proteins from the seeds of wheat, were modeled using structure prediction and molecular dynamics. Models were generated with spiral structures, based on repetitive beta-reverse turns, within and spanning the repeat motifs of the central domains. The models were consistent with available data from biophysical studies on the intact proteins and spectroscopic (infra-red and nuclear magnetic resonance) studies of synthetic peptides.