A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis

• Main Authors: Jitonnom,J., Sattayanon,C., Kungwan,N., Hannongbua,S.
• Format: Article
• Published: Elsevier Inc. 2015
• Subjects: Computer Graphics and Computer-Aided Design; Materials Chemistry; Spectroscopy; Physical and Theoretical Chemistry
• Online Access: http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84919800770&origin=inward; http://cmuir.cmu.ac.th/handle/6653943832/38846
• Institution: Chiang Mai University

© 2014 Elsevier Inc. All rights reserved. Serratia marcescens chitinase B (SmChiB) catalyzes the hydrolysis of β-1,4-glycosidic bond, via an unusual substrate-assisted mechanism, in which the substrate itself acts as an intramolecular nucleophile. In this paper, the catalytic mechanism of SmChiB has...