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

Martín Calvelo; Alexandra Males; Matthew G. Alteen; Lianne I. Willems; David J. Vocadlo; Gideon J. Davies; Carme Rovira

doi:https://doi.org/10.1021/acscatal.3c02378

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

Martín Calvelo, Alexandra Males, Matthew G. Alteen, Lianne I. Willems, David J. Vocadlo, Gideon J. Davies, Carme Rovira

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	13672–13678
Journal	ACS Catalysis
Volume	13
Early online date	10 Oct 2023
DOIs	https://doi.org/10.1021/acscatal.3c02378
Publication status	E-pub ahead of print - 10 Oct 2023

Access to Document

https://doi.org/10.1021/acscatal.3c02378Licence: CC BY

calvelo-et-al-2023-human-o-glcnacase-uses-a-preactivated-boat-skew-substrate-conformation-for-catalysis-evidence-from-xFinal published version, 3.89 MBLicence: CC BY

1 Finished
2 Active

CARBOCENTRE: Activity-Based Profiling of Glycoprocessing Enzymes for Human Health and a Sustainable Society
Davies, G. J.
EUROPEAN COMMISSION
1/06/21 → 31/05/27
Project: Research project (funded) › Research
RS Research Professorship
Davies, G. J.
THE ROYAL SOCIETY
1/01/17 → 31/12/27
Project: Research project (funded) › Research
Dissection of the Leishmania mannogen biosynthetic pathway: beta 1-2 mannan in pathogens and beyond
Davies, G. J.
BBSRC (BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL)
20/01/20 → 19/04/23
Project: Research project (funded) › Research

Cite this

@article{642cc257ad5b4dd9aa904391d2407820,

title = "Human O-GlcNAcase Uses a Preactivated Boat-like Substrate Conformation for Catalysis: Evidence from X-ray Crystallography and QM/MM Metadynamics",

author = "Mart{\'i}n Calvelo and Alexandra Males and Alteen, {Matthew G.} and Willems, {Lianne I.} and Vocadlo, {David J.} and Davies, {Gideon J.} and Carme Rovira",

year = "2023",

month = oct,

day = "10",

doi = "https://doi.org/10.1021/acscatal.3c02378",

language = "English",

volume = "13",

pages = "13672–13678",

journal = "ACS Catalysis",

issn = "2155-5435",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Human O-GlcNAcase Uses a Preactivated Boat-like Substrate Conformation for Catalysis

T2 - Evidence from X-ray Crystallography and QM/MM Metadynamics

AU - Calvelo, Martín

AU - Males, Alexandra

AU - Alteen, Matthew G.

AU - Willems, Lianne I.

AU - Vocadlo, David J.

AU - Davies, Gideon J.

AU - Rovira, Carme

PY - 2023/10/10

Y1 - 2023/10/10

U2 - https://doi.org/10.1021/acscatal.3c02378

DO - https://doi.org/10.1021/acscatal.3c02378

M3 - Article

SN - 2155-5435

VL - 13

SP - 13672

EP - 13678

JO - ACS Catalysis

JF - ACS Catalysis

ER -

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

Access to Document

Projects

CARBOCENTRE: Activity-Based Profiling of Glycoprocessing Enzymes for Human Health and a Sustainable Society

RS Research Professorship

Dissection of the Leishmania mannogen biosynthetic pathway: beta 1-2 mannan in pathogens and beyond

Cite this