Premium
Cover Image
Publication year - 2018
Publication title -
biopolymers
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.23066
Subject(s) - clostridium thermocellum , chemistry , cover (algebra) , cellulase , enzyme , citation , substrate (aquarium) , active site , image (mathematics) , computational biology , information retrieval , stereochemistry , biochemistry , computer science , world wide web , artificial intelligence , biology , engineering , mechanical engineering , ecology
Cellobiohydrolase A (Cbh9A) (previously named CbhA) from Ruminiclostridium thermocellum (formerly Clostridium thermocellum ) is a processive exo‐enzyme in family 9. It is also an important cellulase characterized by an inverting mechanism of catalysis, exhibiting high catalytic activity. Residues Tyr555 and Trp678 are considered to be important residues which might affect catalytic activity of the enzyme by affecting the processitivity of Cbh9A. Han et al . present molecular dynamics and steered molecular dynamics simulations, and free energy calculations designed to investigate how Tyr555 and Trp678 affect the Chb9A activity on the substrate sliding in the active cleft. (DOI: 10.1002/bip.23238 )