Insights into activity and inhibition from the crystal structure of human O-GlcNAcase

Nat Chem Biol. 2017 Jun;13(6):613-615. doi: 10.1038/nchembio.2357. Epub 2017 Mar 27.

Abstract

O-GlcNAc hydrolase (OGA) catalyzes removal of βα-linked N-acetyl-D-glucosamine from serine and threonine residues. We report crystal structures of Homo sapiens OGA catalytic domain in apo and inhibited states, revealing a flexible dimer that displays three unique conformations and is characterized by subdomain α-helix swapping. These results identify new structural features of the substrate-binding groove adjacent to the catalytic site and open new opportunities for structural, mechanistic and drug discovery activities.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Acetylglucosamine / metabolism
  • Binding Sites
  • Calorimetry
  • Catalytic Domain
  • Crystallography, X-Ray
  • Enzyme Activation / drug effects
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Models, Biological*
  • Protein Structure, Tertiary
  • Substrate Specificity
  • beta-N-Acetylhexosaminidases / chemistry*
  • beta-N-Acetylhexosaminidases / metabolism*

Substances

  • Enzyme Inhibitors
  • hexosaminidase C
  • beta-N-Acetylhexosaminidases
  • Acetylglucosamine