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TitleIn vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Journal, issue, pagesChem Sci, Vol. 6, Page 2782-false, Year 2015
Publish dateOct 28, 2014 (structure data deposition date)
AuthorsJiang, J. / Kallemeijn, W.W. / Wright, D.W. / van den Nieuwendijk, A.M.C.H. / Rohde, V.C. / Folch, E.C. / van den Elst, H. / Florea, B.I. / Scheij, S. / Donker-Koopman, W.E. ...Jiang, J. / Kallemeijn, W.W. / Wright, D.W. / van den Nieuwendijk, A.M.C.H. / Rohde, V.C. / Folch, E.C. / van den Elst, H. / Florea, B.I. / Scheij, S. / Donker-Koopman, W.E. / Verhoek, M. / Li, N. / Schurmann, M. / Mink, D. / Boot, R.G. / Codee, J.D.C. / van der Marel, G.A. / Davies, G.J. / Aerts, J.M.F.G. / Overkleeft, H.S.
External linksChem Sci / PubMed:29142681
MethodsX-ray diffraction
Resolution1.64 - 1.92 Å
Structure data

PDB-4wsj:
Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4wsk:
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-3U3:
N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide

ChemComp-HOH:
WATER

ChemComp-3U2:
N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide

ChemComp-IMD:
IMIDAZOLE

Source
  • bacteroides thetaiotaomicron (bacteria)
KeywordsHYDROLASE / Fucosidase Complex Covalent Inhibitor

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