Combining 3D structure with glycan array data provides insight into the origin of glycan specificity.

ABSTRACT: Defining how a glycan-binding protein (GBP) specifically selects its cognate glycan from among the ensemble of glycans within the cellular glycome is an area of intense study. Powerful insight into recognition mechanisms can be gained from 3D structures of GBPs complexed to glycans; however, such structures remain difficult to obtain experimentally. Here an automated 3D structure generation technique, called computational carbohydrate grafting, is combined with the wealth of specificity information available from glycan array screening. Integration of the array data with modeling and crystallography allows generation of putative co-complex structures that can be objectively assessed and iteratively altered until a high level of agreement with experiment is achieved. Given an accurate model

SUBMITTER: Grant OC 

PROVIDER: S-EPMC4976521 | biostudies-literature | 2016 Jul

REPOSITORIES: biostudies-literature