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Structure paper

TitleThe Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 51, Page 10997-, Year 2012
Publish dateJun 21, 2012 (structure data deposition date)
AuthorsThompson, A.J. / Dabin, J. / Iglesias-Fernandez, J. / Ardevol, A. / Dinev, Z. / Williams, S.J. / Bande, O. / Siriwardena, A. / Moreland, C. / Hu, T.C. ...Thompson, A.J. / Dabin, J. / Iglesias-Fernandez, J. / Ardevol, A. / Dinev, Z. / Williams, S.J. / Bande, O. / Siriwardena, A. / Moreland, C. / Hu, T.C. / Smith, D.K. / Gilbert, H.J. / Rovira, C. / Davies, G.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:23012075
MethodsX-ray diffraction
Resolution0.85 - 1.1 Å
Structure data

PDB-4ayo:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

PDB-4ayp:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

PDB-4ayq:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with mannoimidazole
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-4ayr:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-MVL:
(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-IFL:
(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

Source
  • caulobacter sp. (bacteria)
KeywordsHYDROLASE / ALPHA-MANNOSIDASE / GLYCOSIDE HYDROLASE / GH47 / CAZY / ENZYME-CARBOHYDRATE INTERACTION GLYCOSIDASE INHIBITION / ENZYME-CARBOHYDRATE INTERACTION / MANNOSE / GLYCOSIDASE INHIBITION / QUANTUM MECHANICS

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