2ccu: Difference between revisions

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-[[Image:2ccu.png|left|200px]]
-<!--
+==HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL==
-The line below this paragraph, containing "STRUCTURE_2ccu", creates the "Structure Box" on the page.
+<StructureSection load='2ccu' size='340' side='right'caption='[[2ccu]], [[Resolution|resolution]] 2.70&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'>[[2ccu]] 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=2CCU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CCU 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]] 2.7&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2D9:4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL'>2D9</scene></td></tr>
-{{STRUCTURE_2ccu|  PDB=2ccu  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ccu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ccu OCA], [https://pdbe.org/2ccu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ccu RCSB], [https://www.ebi.ac.uk/pdbsum/2ccu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ccu ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
+== 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/cc/2ccu_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=2ccu ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Novel piperazinyl, morpholino and piperidyl derivatives of the pyrazole-based Hsp90 inhibitor CCT018159 are described. Structure-activity relationships have been elucidated by X-ray co-crystal analysis of the new compounds bound to the N-terminal domain of human Hsp90. Key features of the binding mode are essentially identical to the recently reported potent analogue VER-49009. The most potent of the new compounds has a methylsulfonylbenzyl substituent appended to the piperazine nitrogen, possesses an IC50 of less than 600 nM binding against the enzyme and demonstrates low micromolar inhibition of tumour cell proliferation.
-===HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL===
+-Amino derivatives of the Hsp90 inhibitor CCT018159.,Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PMID:16480864<ref>PMID:16480864</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_16480864}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 2ccu" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 16480864 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_16480864}}
-==About this Structure==
-[[2ccu]] is a 1 chain structure of [[Heat Shock Proteins]] 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=2CCU OCA].
 ==See Also==
-*[[Heat Shock Proteins]]
+*[[Heat Shock Protein structures|Heat Shock Protein structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:16480864</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Barril, X.]]
+[[Category: Large Structures]]
-[[Category: Beswick, M C.]]
+[[Category: Barril X]]
-[[Category: Collier, A.]]
+[[Category: Beswick MC]]
-[[Category: Drysdale, M J.]]
+[[Category: Collier A]]
-[[Category: Dymock, B W.]]
+[[Category: Drysdale MJ]]
-[[Category: Fink, A.]]
+[[Category: Dymock BW]]
-[[Category: Grant, K.]]
+[[Category: Fink A]]
-[[Category: Howes, R.]]
+[[Category: Grant K]]
-[[Category: Jordan, A M.]]
+[[Category: Howes R]]
-[[Category: Massey, A.]]
+[[Category: Jordan AM]]
-[[Category: Surgenor, A.]]
+[[Category: Massey A]]
-[[Category: Wayne, J.]]
+[[Category: Surgenor A]]
-[[Category: Workman, P.]]
+[[Category: Wayne J]]
-[[Category: Wright, L.]]
+[[Category: Workman P]]
-[[Category: Atp-binding]]
+[[Category: Wright L]]
-[[Category: Atpase]]
-[[Category: Chaperone]]
-[[Category: Heat shock]]
-[[Category: Heat-shock protein/complex]]
-[[Category: Hsp90]]
-[[Category: Nucleotide-binding]]
-[[Category: Phosphorylation]]
-[[Category: Pyrazole]]