Agriculture and Agri-Food Canada, Saskatoon, Saskatchewan S7N 0X2, Canada.
J Agric Food Chem. 2011 Dec 28;59(24):12925-38. doi: 10.1021/jf201979a. Epub 2011 Dec 1.
Cruciferin is the major storage protein in Brassicaceae family oilseeds. The predominant cruciferin isoforms in Arabidopsis thaliana were investigated using homology modeling (HM) for their molecular structures and functional properties. The structure of Brassica napus procruciferin was used as the template for HM to determine the molecular structures and hypervariable regions. Hydrophobicity and electrostatic surface potential distribution on the intradisulfide-containing face (IA) and the interdisulfide-containing face (IE) indicated favorable interfacial and solubility properties. More heat-induced structural changes were predicted for the CruC homotrimer than for the CruA or CruB homotrimers. Structural features that facilitate flavor binding and limit proteolytic digestion were more readily observed in CruA and CruB than in CruC. On the basis of these comparative models, structural differences among cruciferin isoforms and their relevance to potential technofunctionalities were identified. This approach of functional property prediction will link protein structure to utilities and will be valuable in designing proteins for targeted applications.
硫苷蛋白是芸薹属油料作物中的主要贮藏蛋白。利用同源建模（HM）研究了拟南芥中主要的硫苷蛋白同工型，以了解其分子结构和功能特性。以 Brassica napus 前硫苷蛋白为模板，确定了分子结构和超变区。含二硫键面（IA）和不含二硫键面（IE）的疏水性和静电表面电势分布表明其具有良好的界面和溶解度特性。与 CruA 或 CruB 同三聚体相比，CruC 同三聚体的热诱导结构变化更大。与 CruC 相比，在 CruA 和 CruB 中更容易观察到促进风味结合和限制蛋白水解的结构特征。基于这些比较模型，鉴定了硫苷蛋白同工型之间的结构差异及其与潜在技术功能的相关性。这种功能特性预测方法将蛋白质结构与用途联系起来，对于设计针对特定应用的蛋白质非常有价值。
