2hh5

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
m (Protected "2hh5" [edit=sysop:move=sysop])
Current revision (01:01, 21 November 2024) (edit) (undo)
 
(9 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:2hh5.png|left|200px]]
 
-
<!--
+
==Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide==
-
The line below this paragraph, containing "STRUCTURE_2hh5", creates the "Structure Box" on the page.
+
<StructureSection load='2hh5' size='340' side='right'caption='[[2hh5]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
-
You may change the PDB parameter (which sets the PDB file loaded into the applet)
+
== Structural highlights ==
-
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+
<table><tr><td colspan='2'>[[2hh5]] 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=2HH5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2HH5 FirstGlance]. <br>
-
or leave the SCENE parameter empty for the default display.
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
-
-->
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GNQ:N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE'>GNQ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-
{{STRUCTURE_2hh5| PDB=2hh5 | SCENE= }}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2hh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hh5 OCA], [https://pdbe.org/2hh5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2hh5 RCSB], [https://www.ebi.ac.uk/pdbsum/2hh5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2hh5 ProSAT]</span></td></tr>
 +
</table>
 +
== 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.
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hh/2hh5_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</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=2hh5 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported.
-
===Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide===
+
Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.,Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:16876402<ref>PMID:16876402</ref>
-
 
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
<!--
+
</div>
-
The line below this paragraph, {{ABSTRACT_PUBMED_16876402}}, adds the Publication Abstract to the page
+
<div class="pdbe-citations 2hh5" style="background-color:#fffaf0;"></div>
-
(as it appears on PubMed at http://www.pubmed.gov), where 16876402 is the PubMed ID number.
+
-
-->
+
-
{{ABSTRACT_PUBMED_16876402}}
+
-
 
+
-
==About this Structure==
+
-
[[2hh5]] is a 2 chain structure of [[Cathepsin]] 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=2HH5 OCA].
+
==See Also==
==See Also==
-
*[[Cathepsin]]
+
*[[Cathepsin 3D structures|Cathepsin 3D structures]]
-
 
+
== References ==
-
==Reference==
+
<references/>
-
<ref group="xtra">PMID:16876402</ref><ref group="xtra">PMID:16446091</ref><references group="xtra"/>
+
__TOC__
-
[[Category: Cathepsin S]]
+
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Harris, J L.]]
+
[[Category: Large Structures]]
-
[[Category: Hornsby, M.]]
+
[[Category: Harris JL]]
-
[[Category: Karenewsky, D S.]]
+
[[Category: Hornsby M]]
-
[[Category: Lesley, S A.]]
+
[[Category: Karenewsky DS]]
-
[[Category: Spraggon, G.]]
+
[[Category: Lesley SA]]
-
[[Category: Tully, D C.]]
+
[[Category: Spraggon G]]
-
[[Category: Arylaminoethyl-amide]]
+
[[Category: Tully DC]]
-
[[Category: Cathepsin s]]
+
-
[[Category: Hydrolase]]
+
-
[[Category: Inhibition]]
+
-
[[Category: Noncovalent]]
+
-
[[Category: Zinc]]
+

Current revision

Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide

PDB ID 2hh5

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2hh5"
Personal tools