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4kc2
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 4kc2 is ON HOLD Authors: Cuesta-Seijo, Jose A., Wang, Shuai, Lafont, Dominique, Vidal, Sebastien, Palcic, Monica M. Description: Structure of the b...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate== | |
| + | <StructureSection load='4kc2' size='340' side='right'caption='[[4kc2]], [[Resolution|resolution]] 1.70Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4kc2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KC2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KC2 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BHE:OCTYL+2-O-(6-DEOXY-ALPHA-L-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE'>BHE</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=WS2:6-(1-BETA-D-GALACTOPYRANOSYLOXYMETHYL)-N-(5-DEOXYLURIDINE-5-YL)PICOLINAMIDE'>WS2</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4kc2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kc2 OCA], [https://pdbe.org/4kc2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kc2 RCSB], [https://www.ebi.ac.uk/pdbsum/4kc2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kc2 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/BGAT_HUMAN 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. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == 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<ref>PMID:24108680</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4kc2" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Glycosyltransferase 3D structures|Glycosyltransferase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Cuesta-Seijo JA]] | ||
| + | [[Category: Lafont D]] | ||
| + | [[Category: Palcic MM]] | ||
| + | [[Category: Vidal S]] | ||
| + | [[Category: Wang S]] | ||
Current revision
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
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