1ms6: Difference between revisions

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<StructureSection load='1ms6' size='340' side='right'caption='[[1ms6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
<StructureSection load='1ms6' size='340' side='right'caption='[[1ms6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1ms6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MS6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MS6 FirstGlance]. <br>
<table><tr><td colspan='2'>[[1ms6]] is a 1 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=1MS6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MS6 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BLN:MORPHOLINE-4-CARBOXYLIC+ACID+[1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE'>BLN</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]] 1.9&#8491;</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Cathepsin_S Cathepsin S], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BLN:MORPHOLINE-4-CARBOXYLIC+ACID+[1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE'>BLN</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=1ms6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ms6 OCA], [https://pdbe.org/1ms6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ms6 RCSB], [https://www.ebi.ac.uk/pdbsum/1ms6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ms6 ProSAT]</span></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=1ms6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ms6 OCA], [https://pdbe.org/1ms6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ms6 RCSB], [https://www.ebi.ac.uk/pdbsum/1ms6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ms6 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[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.  
[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.
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ms6 ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ms6 ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The specificity of the immune response relies on processing of foreign proteins and presentation of antigenic peptides at the cell surface. Inhibition of antigen presentation, and the subsequent activation of T-cells, should, in theory, modulate the immune response. The cysteine protease Cathepsin S performs a fundamental step in antigen presentation and therefore represents an attractive target for inhibition. Herein, we report a series of potent and reversible Cathepsin S inhibitors based on dipeptide nitriles. These inhibitors show nanomolar inhibition of the target enzyme as well as cellular potency in a human B cell line. The first X-ray crystal structure of a reversible inhibitor cocrystallized with Cathepsin S is also reported.
Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors.,Ward YD, Thomson DS, Frye LL, Cywin CL, Morwick T, Emmanuel MJ, Zindell R, McNeil D, Bekkali Y, Girardot M, Hrapchak M, DeTuri M, Crane K, White D, Pav S, Wang Y, Hao MH, Grygon CA, Labadia ME, Freeman DM, Davidson W, Hopkins JL, Brown ML, Spero DM J Med Chem. 2002 Dec 5;45(25):5471-82. PMID:12459015<ref>PMID:12459015</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1ms6" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Cathepsin 3D structures|Cathepsin 3D structures]]
*[[Cathepsin 3D structures|Cathepsin 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Cathepsin S]]
[[Category: Homo sapiens]]
[[Category: Human]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Bekkali, Y]]
[[Category: Bekkali Y]]
[[Category: Brown, M L]]
[[Category: Brown ML]]
[[Category: Crane, K]]
[[Category: Crane K]]
[[Category: Cywin, C L]]
[[Category: Cywin CL]]
[[Category: Davidson, W]]
[[Category: Davidson W]]
[[Category: DeTuri, M]]
[[Category: DeTuri M]]
[[Category: Emmanuel, M J]]
[[Category: Emmanuel MJ]]
[[Category: Freeman, D M]]
[[Category: Freeman DM]]
[[Category: Frye, L L]]
[[Category: Frye LL]]
[[Category: Giradot, M]]
[[Category: Giradot M]]
[[Category: Grygon, C A]]
[[Category: Grygon CA]]
[[Category: Hao, M H]]
[[Category: Hao MH]]
[[Category: Hopkins, J L]]
[[Category: Hopkins JL]]
[[Category: Hrapchak, M]]
[[Category: Hrapchak M]]
[[Category: Labadia, M E]]
[[Category: Labadia ME]]
[[Category: McNeil, D]]
[[Category: McNeil D]]
[[Category: Morwick, T]]
[[Category: Morwick T]]
[[Category: Pav, S]]
[[Category: Pav S]]
[[Category: Spero, D M]]
[[Category: Spero DM]]
[[Category: Thomson, D S]]
[[Category: Thomson DS]]
[[Category: Wang, Y]]
[[Category: Wang Y]]
[[Category: Ward, Y D]]
[[Category: Ward YD]]
[[Category: White, D]]
[[Category: White D]]
[[Category: Zindell, R]]
[[Category: Zindell R]]
[[Category: Cathepsin]]
[[Category: Hydrolase]]
[[Category: Protease]]

Revision as of 11:40, 10 April 2024

Dipeptide Nitrile Inhibitor Bound to Cathepsin S.Dipeptide Nitrile Inhibitor Bound to Cathepsin S.

Structural highlights

1ms6 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.9Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1ms6, resolution 1.90Å

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OCA
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