5owp: Difference between revisions

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'''Unreleased structure'''


The entry 5owp is ON HOLD  until Paper Publication
==Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3==
<StructureSection load='5owp' size='340' side='right' caption='[[5owp]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5owp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OWP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5OWP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A2G:N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE'>A2G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=4FB:(4S)-4-FLUORO-L-PROLINE'>4FB</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=5owp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5owp OCA], [http://pdbe.org/5owp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5owp RCSB], [http://www.ebi.ac.uk/pdbsum/5owp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5owp ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A structure-based design of a new generation of tumor-associated glycopeptides with improved affinity against two anti-MUC1 antibodies is described. These unique antigens feature a fluorinated proline residue, such as a (4S)-4-fluoro-l-proline or 4,4-difluoro-l-proline, at the most immunogenic domain. Binding assays using biolayer interferometry reveal 3-fold to 10-fold affinity improvement with respect to the natural (glyco)peptides. According to X-ray crystallography and MD simulations, the fluorinated residues stabilize the antigen-antibody complex by enhancing key CH/pi interactions. Interestingly, a notable improvement in detection of cancer-associated anti-MUC1 antibodies from serum of patients with prostate cancer is achieved with the non-natural antigens, which proves that these derivatives can be considered better diagnostic tools than the natural antigen for prostate cancer.


Authors: Bermejo, I.A., Albuquerque, I.S., Somovilla, V.J., Martinez-Saez, N., Castro-Lopez, J., Garcia-Martin, F., Hinou, H., Nishimura, S., Jimenez-Barbero, J., Asensio, J.L., Avenoza, A., Busto, J.H., Hurtado-Guerrero, R., Peregrina, J.M., Bernardes, G.J., Corzana, F.
The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.,Somovilla VJ, Bermejo IA, Albuquerque IS, Martinez-Saez N, Castro-Lopez J, Garcia-Martin F, Companon I, Hinou H, Nishimura SI, Jimenez-Barbero J, Asensio JL, Avenoza A, Busto JH, Hurtado-Guerrero R, Peregrina JM, Bernardes GJL, Corzana F J Am Chem Soc. 2017 Dec 12. doi: 10.1021/jacs.7b09447. PMID:29166012<ref>PMID:29166012</ref>


Description: Crystal structure of glycopeptide ""GVTSAfPDT*RPAP"" in complex with scFv-SM3
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Bernardes, G.J]]
<div class="pdbe-citations 5owp" style="background-color:#fffaf0;"></div>
[[Category: Somovilla, V.J]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Albuquerque, I S]]
[[Category: Asensio, J L]]
[[Category: Avenoza, A]]
[[Category: Bermejo, I A]]
[[Category: Bernardes, G J]]
[[Category: Busto, J H]]
[[Category: Castro-Lopez, J]]
[[Category: Castro-Lopez, J]]
[[Category: Peregrina, J.M]]
[[Category: Asensio, J.L]]
[[Category: Bermejo, I.A]]
[[Category: Avenoza, A]]
[[Category: Jimenez-Barbero, J]]
[[Category: Hinou, H]]
[[Category: Busto, J.H]]
[[Category: Corzana, F]]
[[Category: Corzana, F]]
[[Category: Garcia-Martin, F]]
[[Category: Garcia-Martin, F]]
[[Category: Nishimura, S]]
[[Category: Hinou, H]]
[[Category: Hurtado-Guerrero, R]]
[[Category: Hurtado-Guerrero, R]]
[[Category: Jimenez-Barbero, J]]
[[Category: Martinez-Saez, N]]
[[Category: Martinez-Saez, N]]
[[Category: Albuquerque, I.S]]
[[Category: Nishimura, S]]
[[Category: Peregrina, J M]]
[[Category: Somovilla, V J]]
[[Category: Immune system]]
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