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Structure paper

TitleMolecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 46, Page 4115-, Year 2007
Publish dateJan 25, 2007 (structure data deposition date)
AuthorsGibson, R.P. / Gloster, T.M. / Roberts, S. / Warren, R.A.J. / Storch De Gracia, I. / Garcia, A. / Chiara, J.L. / Davies, G.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:17455176
MethodsX-ray diffraction
Resolution1.5 - 2.2 Å
Structure data

PDB-2jf4:
Family 37 trehalase from Escherichia coli in complex with validoxylamine
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2jg0:
Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-VDM:
(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL

ChemComp-HOH:
WATER

ChemComp-TTZ:
N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / FAMILY 37 / INHIBITOR / TREHALASE / GLYCOSIDE HYDROLASE / PERIPLASMIC / GLYCOSIDASE / VALIDOXYLAMINE / 1-THIATREHAZOLIN

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