View source for 6u22


==Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin==
<StructureSection load='6u22' size='340' side='right'caption='[[6u22]], [[Resolution|resolution]] 1.42&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6u22]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [https://en.wikipedia.org/wiki/Helianthus_annuus Helianthus annuus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U22 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6U22 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]] 1.42&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=WMH:1-methyl-1,2,3-triazole'>WMH</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=6u22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u22 OCA], [https://pdbe.org/6u22 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6u22 RCSB], [https://www.ebi.ac.uk/pdbsum/6u22 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6u22 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Ruthenium-catalysed azide-alkyne cycloaddition (RuAAC) is an emerging tool for organic and medicinal chemistry that provides access to 1,5-disubstituted 1,2,3-triazole motifs for applications in peptide engineering. Despite its growing popularity, investigation of this motif as a disulfide mimetic in backbone cyclic peptides has been limited, and structural consequences remain to be studied. Here, we establish synthetic strategies to install various triazole linkages in cyclic peptides using backbone cyclisation and RuAAC cross-linking reactions. These linkages were evaluated in four serine protease inhibitors based on the sunflower trypsin inhibitor-1 framework. NMR and X-ray crystallography revealed exceptional consensus of bridging distance and backbone conformations (RMSD &lt;0.5 A) of the triazole linkages when compared to the parent disulfide molecules. The triazole-bridged peptides displayed superior half-lives in liver S9 stability assays compared to disulfide-bridged peptides. This work establishes a strong foundation for the application of 1,5-disubstituted 1,2,3-triazoles as disulfide mimetics.

Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.,White A, de Veer S, Wu G, Harvey P, Yap K, King GJ, Swedberg JE, Wang CK, Law RHP, Durek T, Craik D Angew Chem Int Ed Engl. 2020 Apr 8. doi: 10.1002/anie.202003435. PMID:32270580<ref>PMID:32270580</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6u22" style="background-color:#fffaf0;"></div>

==See Also==
*[[Trypsin 3D structures|Trypsin 3D structures]]
*[[Trypsin inhibitor 3D structures|Trypsin inhibitor 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Bos taurus]]
[[Category: Helianthus annuus]]
[[Category: Large Structures]]
[[Category: Craik DJ]]
[[Category: Durek T]]
[[Category: King GJ]]
[[Category: White AM]]