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Structure paper

TitleVisualizing the Reaction Coordinate of an O-Glcnac Hydrolase
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 132, Page 1807-, Year 2010
Publish dateNov 30, 2009 (structure data deposition date)
AuthorsHe, Y. / Macauley, M.S. / Stubbs, K.A. / Vocadlo, D.J. / Davies, G.J.
External linksJ. Am. Chem. Soc. / PubMed:20067256
MethodsX-ray diffraction
Resolution1.9 - 2.21 Å
Structure data

PDB-2wzh:
BtGH84 D242N in complex with MeUMB-derived oxazoline
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2wzi:
BtGH84 D243N in complex with 5F-oxazoline
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2x0h:
BtGH84 Michaelis complex
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

Chemicals

ChemComp-NGO:
2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE

ChemComp-GOL:
GLYCEROL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-5FN:
(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL

ChemComp-NA:
Unknown entry

ChemComp-14T:
3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside

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

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