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Structure paper

TitleMolecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 131, Page 5390-, Year 2009
Publish dateDec 17, 2008 (structure data deposition date)
AuthorsMarcelo, F. / He, Y. / Yuzwa, S.A. / Nieto, L. / Jimenez-Barbero, J. / Sollogoub, M. / Vocadlo, D.J. / Davies, G.J. / Bleriot, Y.
External linksJ. Am. Chem. Soc. / PubMed:19331390
MethodsX-ray diffraction
Resolution2.25 - 2.27 Å
Structure data

PDB-2w66:
BtGH84 in complex with HQ602
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-2w67:
BtGH84 in complex with FMA34
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-HQ6:
N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-F34:
N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide

Source
  • bacteroides thetaiotaomicron vpi-5482 (bacteria)
KeywordsHYDROLASE / GLYCOSIDE HYDROLASE / COMPLEX / INHIBITOR / GLYCOSIDASE

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