MODELING ANTIBODY-CARBOHYDRATE COMPLEXES-PART A

抗体-碳水化合物复合物建模 - A 部分

• 批准号: 8361825
• 负责人: ROBERT J WOODS
• 金额: $ 0.18万
• 依托单位: UNIVERSITY OF GEORGIA
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-02-01 至 2012-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361825
• 关键词: Antibodies; Antigens; Binding; Carbohydrates; Complex; Crystallization; Data; Docking; Funding; Grant; Ligands; Methods; Modeling; Mutation; National Center for Research Resources; Polysaccharides; Principal Investigator; Proteins; Research; Research Infrastructure; Resources; Source; Specificity; Structure; Techniques; United States National Institutes of Health; cost; insight; protein structure

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Crystallographic structures of protein-ligand complexes are ideal for understanding the mechanism of recognition, however, crystallizing protein-ligand complexes is often more difficult than crystallization of the protein alone. Several other experimental methods (mutation studies, NMR STDs, and glycan arrays) provide insight into the orientation, specificity and binding pocket contacts that can be used to aid in computational prediction methods. This project uses glycan array data to assist in predicting the complex of the JAA-F11 antibody with the TF-antigen through use of a new, high-throughput technique called Carbohydrate Threading. This technique allows quantitative comparisons of different glycans modeled onto a template structure, like a docked model, to determine the capacity of a binding pocket to spatially accommodate a known binder or non-binder.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 蛋白质-配体复合物的晶体结构对于理解识别机制是理想的，然而，蛋白质-配体复合物的结晶通常比单独的蛋白质结晶更困难。 其他几种实验方法（突变研究、NMR STD 和聚糖阵列）提供了对方向、特异性和结合袋接触的深入了解，可用于帮助计算预测方法。 该项目利用聚糖阵列数据，通过一种名为“碳水化合物线程”的新型高通量技术来协助预测 JAA-F11 抗体与 TF 抗原的复合物。 该技术允许对模板结构（如对接模型）上建模的不同聚糖进行定量比较，以确定结合口袋在空间上容纳已知结合剂或非结合剂的能力。