5meh

Crystal structure of alpha-1,2-mannosidase from Caulobacter K31 strain in complex with 1-deoxymannojirimycin

spinqualitylabelsall models 5meh, resolution 0.95Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5meh is a 1 chain structure with sequence from Caulobacter sp. K31. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 0.95Å Ligands: ACT, CA, DMJ, GOL, NA Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function B0SWV2_CAUSK Publication Abstract from PubMed A set of mannuronic acid based iminosugars, comprising the C-5-carboxylic acid, -methyl ester and -amide analogues of 1-deoxymannorjirimicin (DMJ), was synthesized and their pH dependent conformational behavior studied. Under acidic conditions the methyl ester and the carboxylic acid took up an "inverted" 1C4 chair conformation as opposed to the "normal" 4C1 chair at basic pH. This conformational change is explained by the stereoelectronic effects of the ring substituents and it parallels the behavior of the mannuronic acid ester oxocarbenium ion. Because of this solution phase behavior, the mannuronic acid ester azasugar was probed as an inhibitor for a Caulobacter GH47 mannosidase that hydrolyzes its substrates following a reaction itinerary that proceeds through a 3H4 transition state. No binding was observed for the mannuronic acid ester azasugar, but sub-atomic resolution data were obtained for the DMJ-CkGH47 complex, showing two conformations, 3S1 and 1C4, for the DMJ inhibitor. Conformational behaviour of mannuronic acid based azasugars.,van Rijssel E, Janssen A, Males A, Davies G, van der Marel G, Overkleeft HS, Codee J Chembiochem. 2017 Mar 3. doi: 10.1002/cbic.201700080. PMID:28256791 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Mannosidase 3D structures

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