View source for 4kc4


==Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate==
<StructureSection load='4kc4' size='340' side='right'caption='[[4kc4]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4kc4]] 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=4KC4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KC4 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]] 1.6&#8491;</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=WS3:5-DEOXY-5-[({6-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]PYRIDIN-2-YL}CARBONYL)AMINO]URIDINE'>WS3</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=4kc4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kc4 OCA], [https://pdbe.org/4kc4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kc4 RCSB], [https://www.ebi.ac.uk/pdbsum/4kc4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kc4 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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4kc4" 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]]