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| ==Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b== | | ==Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b== |
| <StructureSection load='4q2k' size='340' side='right'caption='[[4q2k]], [[Resolution|resolution]] 2.20Å' scene=''> | | <StructureSection load='4q2k' size='340' side='right'caption='[[4q2k]]' scene=''> |
| == Structural highlights == | | == Structural highlights == |
| <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> | | <table><tr><td colspan='2'>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> | | </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> |
| <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Chymotrypsin Chymotrypsin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.1 3.4.21.1] </span></td></tr>
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| <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> | |
| </table> | | </table> |
| <div style="background-color:#fffaf0;">
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| == Publication Abstract from PubMed ==
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| 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.
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| 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>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| <div class="pdbe-citations 4q2k" style="background-color:#fffaf0;"></div>
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| ==See Also== | | ==See Also== |
| *[[Chymotrypsin 3D structures|Chymotrypsin 3D structures]] | | *[[Chymotrypsin 3D structures|Chymotrypsin 3D structures]] |
| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Bos taurus]]
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| [[Category: Chymotrypsin]]
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| [[Category: Large Structures]] | | [[Category: Large Structures]] |
| [[Category: Abell, A D]] | | [[Category: Abell AD]] |
| [[Category: Bruning, J B]] | | [[Category: Bruning JB]] |
| [[Category: Chan, H Y]] | | [[Category: Chan HY]] |
| [[Category: Hydrolase-hydrolase inhibitor complex]]
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| [[Category: Protease]]
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