MODELING ANTIBODY-CARBOHYDRATE COMPLEXES-PART A

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 蛋白质-配体复合体的结晶学结构是理解识别机制的理想方法，然而，蛋白质-配体复合体的结晶通常比蛋白质本身的结晶更困难。其他几种实验方法(突变研究、核磁共振STD和糖链阵列)提供了对可用于辅助计算预测方法的定向、特异性和结合口袋接触的洞察。该项目使用糖链阵列数据，通过一种名为碳水化合物穿线的新的高通量技术，帮助预测JAA-F11抗体与TF抗原的复合体。该技术允许对模拟到模板结构(如对接模型)上的不同多糖进行定量比较，以确定结合袋在空间上容纳已知粘合剂或非粘合剂的能力。

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.