Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics

Author:

Calvelo Martín1,Males Alexandra2,Alteen Matthew G.3,Willems Lianne I.2,Vocadlo David J.3ORCID,Davies Gideon J.2ORCID,Rovira Carme14ORCID

Affiliation:

1. Departament de Química Inorgànica i Orgànica & IQTCUB, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain

2. York Structural Biology Laboratory, Department of Chemistry, The University of York, Heslington, York YO10 5DD, United Kingdom

3. Department of Chemistry & Department of Molecular Biology and Biochemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada

4. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluís Companys, 23, 08020 Barcelona, Spain

Funder

Canadian Institutes of Health Research

Royal Society

Ministerio de Ciencia e Innovaci?n

Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca

Canada Research Chairs

H2020 European Research Council

Biotechnology and Biological Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

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