View source for 5fxc


==Crystal structure of glycopeptide 22 in complex with scFv-SM3==
<StructureSection load='5fxc' size='340' side='right' caption='[[5fxc]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5fxc]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FXC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FXC FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5fxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fxc OCA], [http://pdbe.org/5fxc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fxc RCSB], [http://www.ebi.ac.uk/pdbsum/5fxc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fxc ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The use of vaccines based on MUC1 glycopeptides is a promising approach to treat cancer. We present herein several sulfa-Tn antigens incorporated in MUC1 sequences that possess a variable linker between the carbohydrate (GalNAc) and the peptide backbone. The main conformations of these molecules in solution have been evaluated by combining NMR experiments and molecular dynamics simulations. The linker plays a key role in the modulation of the conformation of these compounds at different levels, blocking a direct contact between the sugar moiety and the backbone, promoting a helix-like conformation for the glycosylated residue and favoring the proper presentation of the sugar unit for molecular recognition events. The feasibility of these novel compounds as mimics of MUC1 antigens has been validated by the X-ray diffraction structure of one of these unnatural derivatives complexed to an anti-MUC1 monoclonal antibody. These features, together with potential lack of immune suppression, render these unnatural glycopeptides promising candidates for designing alternative therapeutic vaccines against cancer.

Design of alpha-S-Neoglycopeptides Derived from MUC1 with a Flexible and Solvent-Exposed Sugar Moiety.,Rojas-Ocariz V, Companon I, Aydillo C, Castro-Lopez J, Jimenez-Barbero J, Hurtado-Guerrero R, Avenoza A, Zurbano MM, Peregrina JM, Busto JH, Corzana F J Org Chem. 2016 Jun 28. PMID:27305427<ref>PMID:27305427</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5fxc" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Lk3 transgenic mice]]
[[Category: Avenoza, A]]
[[Category: Aydillo, C]]
[[Category: Busto, J H]]
[[Category: Castro-Lopez, J]]
[[Category: Companon, I]]
[[Category: Corzana, F]]
[[Category: Hurtado-Guerrero, R]]
[[Category: Jimenez-Barbero, J]]
[[Category: Peregrina, J M]]
[[Category: Rojas-Ocariz, V]]
[[Category: Zurbano, M M]]
[[Category: Antibody]]
[[Category: Conformation analysis]]
[[Category: Glycopeptide]]
[[Category: Immune system]]
[[Category: Molecular recognition]]