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==Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3== | |||
<StructureSection load='5owp' size='340' side='right' caption='[[5owp]], [[Resolution|resolution]] 1.85Å' 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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Bernardes, G | <div class="pdbe-citations 5owp" style="background-color:#fffaf0;"></div> | ||
[[Category: | == 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: Corzana, F]] | [[Category: Corzana, F]] | ||
[[Category: Garcia-Martin, F]] | [[Category: Garcia-Martin, F]] | ||
[[Category: | [[Category: Hinou, H]] | ||
[[Category: Hurtado-Guerrero, R]] | [[Category: Hurtado-Guerrero, R]] | ||
[[Category: Jimenez-Barbero, J]] | |||
[[Category: Martinez-Saez, N]] | [[Category: Martinez-Saez, N]] | ||
[[Category: | [[Category: Nishimura, S]] | ||
[[Category: Peregrina, J M]] | |||
[[Category: Somovilla, V J]] | |||
[[Category: Immune system]] | |||
Revision as of 09:57, 13 December 2017
Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3
Structural highlights
Publication Abstract from PubMedA 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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