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Structure paper

TitleCombined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 53, Page 1087-, Year 2014
Publish dateOct 30, 2013 (structure data deposition date)
AuthorsWilliams, R.J. / Iglesias-Fernandez, J. / Stepper, J. / Jackson, A. / Thompson, A.J. / Lowe, E.C. / White, J.M. / Gilbert, H.J. / Rovira, C. / Davies, G.J. / Williams, S.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:24339341
MethodsX-ray diffraction
Resolution1.1 - 1.65 Å
Structure data

PDB-4cd4:
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-4cd5:
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-4cd6:
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4cd7:
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4cd8:
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-BMA:
beta-D-mannopyranose

ChemComp-IFM:
5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE

ChemComp-HOH:
WATER

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

Source
  • cellvibrio japonicus (bacteria)
  • alicyclobacillus acidocaldarius (bacteria)
KeywordsHYDROLASE / BETA-MANNOSIDASE / MANNOSIDASE / GLYCOSIDE HYDROLASE / GH26 / GH113 / CAZY / ENZYME-CARBOHYDRATE INTERACTION / MANNOSE / GLYCOSIDASE INHIBITION / QUANTUM MECHANICS / BIOCATALYSIS / CONFORMATION

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