A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
Anupong Tankrathok, Javier Iglesias-Fernandez, Rohan J Williams, Salila Pengthaisong, Supaporn Baiya, Zalihe Hakki, Robert C Robinson, Maria Hrmova, Carme Rovira, Spencer J Williams, James R Ketudat Cairns
ACS Catalysis | AMER CHEMICAL SOC | Published : 2015
Awarded by Thailand Research Fund
Awarded by Generalitat de Catalunya
Awarded by Spanish Ministry of Economy and Competitiveness
Awarded by Royal Golden Jubilee Ph.D. Scholarship from Thailand Research Fund
We thank Giovanni Bussi and Alejandro Ley for help in implementing the puckering coordinates for six-membered rings as collective variables in Plumed2. This work was supported by the Thailand Research Fund Grant BRG5680012, the Strategic Scholarships for Frontier Research Network Ph.D. Program, the National Research University Project to Suranaree University of Technology from the Commission on Higher Education of Thailand, the Generalitat de Catalunya (2014SGR-987), the Spanish Ministry of Economy and Competitiveness (CTQ2014-55174-P), and the Australian Research Council through a Future Fellowship. R.C.R thanks A*STAR Singapore for support. S.B. was supported by a Royal Golden Jubilee Ph.D. Scholarship (Grant PHD/106/2551) from the Thailand Research Fund. We acknowledge the computer support, technical expertise, and assistance provided by the Barcelona Supercomputing Center. Centro Nacional de Supercomputacion (BSC-CNS). Data collection was carried out at the National Synchrotron Radiation Research Center (NSRRC), a national user facility supported by the National Science Council of Taiwan, ROC. The Synchrotron Radiation Protein Crystallography Facility is supported by the National Research Program for Genomic Medicine.