4q2k

<StructureSection load='4q2k' size='340' side='right'caption='[[4q2k]], [[Resolution|resolution]] 2.20&Aring;' scene=''>

<table><tr><td colspan='2'>[[4q2k]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Q2K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Q2K FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5BF:(11S)-4,9-DIOXO-N-[(2S)-1-OXO-3-PHENYLPROPAN-2-YL]-17,22-DIOXA-10,30-DIAZATETRACYCLO[21.2.2.2~13,16~.1~5,8~]TRIACONTA-1(25),5,7,13,15,23,26,28-OCTAENE-11-CARBOXAMIDE'>5BF</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=4q2k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q2k OCA], [https://pdbe.org/4q2k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4q2k RCSB], [https://www.ebi.ac.uk/pdbsum/4q2k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4q2k ProSAT]</span></td></tr>

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== Publication Abstract from PubMed ==

There is a real need for simple structures that define a beta-strand conformation, a secondary structure that is central to peptide-protein interactions. For example, protease substrates and inhibitors almost universally adopt this geometry on active site binding. A planar pyrrole is used to replace two amino acids of a peptide backbone to generate a simple macrocycle that retains the required geometry for active site binding. The resulting beta-strand templates have reduced peptide character and provide potent protease inhibitors with the attachment of an appropriate amino aldehyde to the C-terminus. Picomolar inhibitors of cathepsin L and S are reported and the mode of binding of one example to the model protease chymotrypsin is defined by X-ray crystallography.

Macrocyclic protease inhibitors with reduced Peptide character.,Chua KC, Pietsch M, Zhang X, Hautmann S, Chan HY, Bruning JB, Gutschow M, Abell AD Angew Chem Int Ed Engl. 2014 Jul 21;53(30):7828-31. doi: 10.1002/anie.201404301. , Epub 2014 Jun 5. PMID:24903745<ref>PMID:24903745</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>

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<div class="pdbe-citations 4q2k" style="background-color:#fffaf0;"></div>

== References ==

<references/>

[[Category: Bos taurus]]

[[Category: Chymotrypsin]]

[[Category: Abell, A D]]

[[Category: Bruning, J B]]

[[Category: Chan, H Y]]

[[Category: Protease]]