Prediction of carbohydrate binding sites on protein surfaces with 3-dimensional probability density distributions of interacting atoms.

ABSTRACT: Non-covalent protein-carbohydrate interactions mediate molecular targeting in many biological processes. Prediction of non-covalent carbohydrate binding sites on protein surfaces not only provides insights into the functions of the query proteins; information on key carbohydrate-binding residues could suggest site-directed mutagenesis experiments, design therapeutics targeting carbohydrate-binding proteins, and provide guidance in engineering protein-carbohydrate interactions. In this work, we show that non-covalent carbohydrate binding sites on protein surfaces can be predicted with relatively high accuracy when the query protein structures are known. The prediction capabilities were based on a novel encoding scheme of the three-dimensional probability density maps describing the distribu

SUBMITTER: Tsai KC 

PROVIDER: S-EPMC3405063 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature