4kc2 | pdb_00004kc2

Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate

spinqualitylabelsall models 4kc2, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4kc2 is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BHE, MN, WS2 Related: 4kc1 Gene: ABO (HUMAN) Resources: FirstGlance, OCA, RCSB, PDBsum Function [BGAT_HUMAN] This protein is the basis of the ABO blood group system. The histo-blood group ABO involves three carbohydrate antigens: A, B, and H. A, B, and AB individuals express a glycosyltransferase activity that converts the H antigen to the A antigen (by addition of UDP-GalNAc) or to the B antigen (by addition of UDP-Gal), whereas O individuals lack such activity. Publication Abstract from PubMed A series of ten glycosyltransferase inhibitors has been designed and synthesized by using pyridine as a pyrophosphate surrogate. The series was prepared by conjugation of carbohydrate, pyridine, and nucleoside building blocks by using a combination of glycosylation, the Staudinger-Vilarrasa amide-bond formation, and azide-alkyne click chemistry. The compounds were evaluated as inhibitors of five metal-dependent galactosyltransferases. Crystallographic analyses of three inhibitors complexed in the active site of one of the enzymes confirmed that the pyridine moiety chelates the Mn(2+) ion causing a slight displacement (2 A) from its original position. The carbohydrate head group occupies a different position than in the natural uridine diphosphate (UDP)-Gal substrate with little interaction with the enzyme. Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.,Wang S, Cuesta-Seijo JA, Lafont D, Palcic MM, Vidal S Chemistry. 2013 Nov 4;19(45):15346-57. doi: 10.1002/chem.201301871. Epub 2013 Sep, 23. PMID:24108680 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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