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Structure paper

TitleCysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 60, Page 5754-5758, Year 2021
Publish dateApr 17, 2020 (structure data deposition date)
AuthorsMcGregor, N.G.S. / Coines, J. / Borlandelli, V. / Amaki, S. / Artola, M. / Nin-Hill, A. / Linzel, D. / Yamada, C. / Arakawa, T. / Ishiwata, A. ...McGregor, N.G.S. / Coines, J. / Borlandelli, V. / Amaki, S. / Artola, M. / Nin-Hill, A. / Linzel, D. / Yamada, C. / Arakawa, T. / Ishiwata, A. / Ito, Y. / van der Marel, G.A. / Codee, J.D.C. / Fushinobu, S. / Overkleeft, H.S. / Rovira, C. / Davies, G.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:33528085
MethodsX-ray diffraction
Resolution1.41 - 2.3 Å
Structure data

PDB-6yqh:
GH146 beta-L-arabinofuranosidase bound to covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-7bzl:
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7dif:
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PJ5:
(1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-FMT:
FORMIC ACID

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FE0:
(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol

ChemComp-K:
Unknown entry

Source
  • bacteroides thetaiotaomicron (strain atcc 29148 / dsm 2079 / nctc 10582 / e50 / vpi-5482) (bacteria)
  • bifidobacterium longum subsp. longum (strain atcc 15707 / dsm 20219 / jcm 1217 / nctc 11818 / e194b) (bacteria)
KeywordsHYDROLASE / arabinofuranosidse / glycosidase / GH146 / (alpha/alpha)6 barrel / glycoside hydrolase family 127

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