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University of Kentucky

Chemical and Materials Engineering Faculty Publications

Free energy perturbation

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Cellulose-Specific Type B Carbohydrate Binding Modules: Understanding Oligomeric And Non-Crystalline Substrate Recognition Mechanisms, Abhishek A. Kognole, Christina M. Payne Nov 2018

Cellulose-Specific Type B Carbohydrate Binding Modules: Understanding Oligomeric And Non-Crystalline Substrate Recognition Mechanisms, Abhishek A. Kognole, Christina M. Payne

Chemical and Materials Engineering Faculty Publications

Background: Effective enzymatic degradation of crystalline polysaccharides requires a synergistic cocktail of hydrolytic enzymes tailored to the wide-ranging degree of substrate crystallinity. To accomplish this type of targeted carbohydrate recognition, nature produces multi-modular enzymes, having at least one catalytic domain appended to one or more carbohydrate binding modules (CBMs). The Type B CBM categorization encompasses several families (i.e., protein folds) of CBMs that are generally thought to selectively bind oligomeric polysaccharides; however, a subset of cellulose-specific CBM families (17 and 28) appear to bind non-crystalline cellulose more tightly than oligomers and in a manner that discriminates between surface topology.

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