This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.


Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


3ovx

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (11:19, 21 February 2024) (edit) (undo)
 
(2 intermediate revisions not shown.)
Line 1: Line 1:
 +
==Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead==
==Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead==
-
<StructureSection load='3ovx' size='340' side='right' caption='[[3ovx]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
+
<StructureSection load='3ovx' size='340' side='right'caption='[[3ovx]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
-
<table><tr><td colspan='2'>[[3ovx]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OVX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3OVX FirstGlance]. <br>
+
<table><tr><td colspan='2'>[[3ovx]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OVX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3OVX FirstGlance]. <br>
-
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=O64:2-CHLORO-N-[(1S)-1-FORMYLPROPYL]-3-(TRIFLUOROMETHYL)BENZAMIDE'>O64</scene></td></tr>
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.49&#8491;</td></tr>
-
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3ovz|3ovz]]</td></tr>
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=O64:2-CHLORO-N-[(1S)-1-FORMYLPROPYL]-3-(TRIFLUOROMETHYL)BENZAMIDE'>O64</scene></td></tr>
-
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3ovx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ovx OCA], [https://pdbe.org/3ovx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ovx RCSB], [https://www.ebi.ac.uk/pdbsum/3ovx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ovx ProSAT]</span></td></tr>
-
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_S Cathepsin S], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </span></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=3ovx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ovx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ovx RCSB], [http://www.ebi.ac.uk/pdbsum/3ovx PDBsum]</span></td></tr>
+
</table>
</table>
== Function ==
== Function ==
-
[[http://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN]] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.
+
[https://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.
-
<div style="background-color:#fffaf0;">
+
-
== Publication Abstract from PubMed ==
+
-
The trifluoromethylphenyl P2 motif from previously reported heteroarylnitrile series has been successfully applied for the design and synthesis of highly potent novel ketoamide-based cathepsin S inhibitors. The key in this process is the change of the torsion angle between the P2 phenyl ring and the attached secondary amide by adding a small Cl, F, or Me group at the 2-position.
+
-
 
+
-
Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.,Cai J, Robinson J, Belshaw S, Everett K, Fradera X, van Zeeland M, van Berkom L, van Rijnsbergen P, Popplestone L, Baugh M, Dempster M, Bruin J, Hamilton W, Kinghorn E, Westwood P, Kerr J, Rankovic Z, Arbuckle W, Bennett DJ, Jones PS, Long C, Martin I, Uitdehaag JC, Meulemans T Bioorg Med Chem Lett. 2010 Dec 1;20(23):6890-4. Epub 2010 Oct 26. PMID:21030256<ref>PMID:21030256</ref>
+
-
 
+
-
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+
-
</div>
+
==See Also==
==See Also==
-
*[[Cathepsin|Cathepsin]]
+
*[[Cathepsin 3D structures|Cathepsin 3D structures]]
-
== References ==
+
-
<references/>
+
__TOC__
__TOC__
</StructureSection>
</StructureSection>
-
[[Category: Cathepsin S]]
 
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Fradera, X]]
+
[[Category: Large Structures]]
-
[[Category: Uitdehaag, J C.M]]
+
[[Category: Fradera X]]
-
[[Category: Zeeland, M van]]
+
[[Category: Uitdehaag JCM]]
-
[[Category: Aldehyde warhead]]
+
[[Category: Van Zeeland M]]
-
[[Category: Cathepsin s]]
+
-
[[Category: Covalent inhibitor]]
+
-
[[Category: Hydrolase]]
+
-
[[Category: Hydrolase-hydrolase inhibitor complex]]
+
-
[[Category: Ligand is covalently bound to cys25]]
+
-
[[Category: Lysosomeal protein]]
+

Current revision

Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead

PDB ID 3ovx

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Personal tools