3u67

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<StructureSection load='3u67' size='340' side='right'caption='[[3u67]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
<StructureSection load='3u67' size='340' side='right'caption='[[3u67]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3u67]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Leishmania_major_mhom/il/81/friedlin Leishmania major mhom/il/81/friedlin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U67 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U67 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3u67]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Leishmania_major_strain_Friedlin Leishmania major strain Friedlin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U67 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U67 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.77&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3h80|3h80]]</div></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HSP83, HSP83-10, HSP83-11, HSP83-12, HSP83-13, HSP83-14, HSP83-15, HSP83-16, HSP83-17, HSP83-2, HSP83-3, HSP83-5, HSP83-6, HSP83-7, HSP83-9, LMJF_33_0312, LMJF_33_0314, LMJF_33_0316, LMJF_33_0320, LMJF_33_0323, LMJF_33_0326, LMJF_33_0333, LMJF_33_0336, LMJF_33_0340, LMJF_33_0343, LMJF_33_0346, LMJF_33_0350, LMJF_33_0355, LMJF_33_0360, LMJF_33_0365 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=347515 Leishmania major MHOM/IL/81/Friedlin])</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=3u67 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u67 OCA], [https://pdbe.org/3u67 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u67 RCSB], [https://www.ebi.ac.uk/pdbsum/3u67 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u67 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=3u67 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u67 OCA], [https://pdbe.org/3u67 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u67 RCSB], [https://www.ebi.ac.uk/pdbsum/3u67 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u67 ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q4Q4I6_LEIMA Q4Q4I6_LEIMA]
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Human African trypanosomiasis is a neglected parasitic disease that is fatal if untreated. The current drugs available to eliminate the causative agent Trypanosoma brucei have multiple liabilities, including toxicity, increasing problems due to treatment failure and limited efficacy. There are two approaches to discover novel antimicrobial drugs--whole-cell screening and target-based discovery. In the latter case, there is a need to identify and validate novel drug targets in Trypanosoma parasites. The heat shock proteins (Hsp), while best known as cancer targets with a number of drug candidates in clinical development, are a family of emerging targets for infectious diseases. In this paper, we report the exploration of T. brucei Hsp83--a homolog of human Hsp90--as a drug target using multiple biophysical and biochemical techniques. Our approach included the characterization of the chemical sensitivity of the parasitic chaperone against a library of known Hsp90 inhibitors by means of differential scanning fluorimetry (DSF). Several compounds identified by this screening procedure were further studied using isothermal titration calorimetry (ITC) and X-ray crystallography, as well as tested in parasite growth inhibitions assays. These experiments led us to the identification of a benzamide derivative compound capable of interacting with TbHsp83 more strongly than with its human homologs and structural rationalization of this selectivity. The results highlight the opportunities created by subtle structural differences to develop new series of compounds to selectively target the Trypanosoma brucei chaperone and effectively kill the sleeping sickness parasite.
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Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.,Pizarro JC, Hills T, Senisterra G, Wernimont AK, Mackenzie C, Norcross NR, Ferguson MA, Wyatt PG, Gilbert IH, Hui R PLoS Negl Trop Dis. 2013 Oct 17;7(10):e2492. doi: 10.1371/journal.pntd.0002492., eCollection 2013. PMID:24147171<ref>PMID:24147171</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3u67" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[Heat Shock Protein structures|Heat Shock Protein structures]]
*[[Heat Shock Protein structures|Heat Shock Protein structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Leishmania major mhom/il/81/friedlin]]
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[[Category: Leishmania major strain Friedlin]]
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[[Category: Arrowsmith, C H]]
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[[Category: Arrowsmith CH]]
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[[Category: Bountra, C]]
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[[Category: Bountra C]]
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[[Category: Edwards, A M]]
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[[Category: Edwards AM]]
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[[Category: Fairlamb, A]]
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[[Category: Fairlamb A]]
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[[Category: Ferguson, M A.J]]
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[[Category: Ferguson MAJ]]
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[[Category: Hills, T]]
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[[Category: Hills T]]
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[[Category: Hui, R]]
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[[Category: Hui R]]
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[[Category: Hutchinson, A]]
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[[Category: Hutchinson A]]
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[[Category: Mackenzie, F]]
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[[Category: Mackenzie F]]
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[[Category: Pizarro, J C]]
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[[Category: Pizarro JC]]
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[[Category: Structural genomic]]
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[[Category: Weigelt J]]
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[[Category: Weigelt, J]]
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[[Category: Wernimont AK]]
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[[Category: Wernimont, A K]]
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[[Category: Atp binding]]
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[[Category: Atpase]]
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[[Category: Chaperone]]
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[[Category: Sgc]]
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Current revision

Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP

PDB ID 3u67

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