4j28 | pdb_00004j28

Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor

spinqualitylabelsall models 4j28, resolution 1.73Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4j28 is a 2 chain structure with sequence from Bactn. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: EAT, GOL, IMD, SO4 Related: 4j27, 4jfs, 4jft, 4jfu, 4jfv, 4jfw, 4jl1, 4jl2 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Fucosidases, enzymes that cleave fucose from the non-reducing end of a glycan, represent promising medicinal targets reflecting their roles in cancer metastasis, inflammation, host-parasite interactions and the lysosomal storage disorder fucosidosis. The X-ray crystal structures of Bacteroides thetaiotaomicron GH29 alpha-l-fucosidase (BtFuc2970) in a new crystal form (at a resolution of 1.59A) and liganded with a 5-membered iminocyclitol inhibitor (1.73A) are reported herein. The 5-membered iminocyclitol binds in a (3)E conformation, mimicking the proposed (3)H4 half chair transition-state of the enzyme catalysed reaction, and its Ki for BtFuc2970 was determined as 2muM. Structural analysis of fucosidase inhibition through 5-membered iminocyclitols will aid in the rational design of more potent fucosidase inhibitors for treatment of a range of medical conditions. Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.,Wright DW, Moreno-Vargas AJ, Carmona AT, Robina I, Davies GJ Bioorg Med Chem. 2013 Aug 15;21(16):4751-4. doi: 10.1016/j.bmc.2013.05.056. Epub , 2013 Jun 13. PMID:23830696 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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