6kr5
From Proteopedia
(Difference between revisions)
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==Crystal structure of O-Acetyl Serine Sulfhydrylase isoform 3 from Entamoeba histolytica== | ==Crystal structure of O-Acetyl Serine Sulfhydrylase isoform 3 from Entamoeba histolytica== | ||
| - | <StructureSection load='6kr5' size='340' side='right'caption='[[6kr5]]' scene=''> | + | <StructureSection load='6kr5' size='340' side='right'caption='[[6kr5]], [[Resolution|resolution]] 1.54Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KR5 OCA]. For a <b>guided tour on the structure components</b> use [ | + | <table><tr><td colspan='2'>[[6kr5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Entamoeba_histolytica Entamoeba histolytica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KR5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KR5 FirstGlance]. <br> |
| - | </td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.544Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</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=6kr5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kr5 OCA], [https://pdbe.org/6kr5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6kr5 RCSB], [https://www.ebi.ac.uk/pdbsum/6kr5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6kr5 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q401L7_ENTHI Q401L7_ENTHI] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The l-cysteine is crucial for growth, survival, defense against oxidative stress, and pathogenesis of Entamoeba histolytica. The de novo biosynthesis of l-cysteine in E. histolytica, has a two-step pathway, where O-acetylserine sulfhydrylase (OASS) catalyses the last step by converting OAS to l-cysteine. This pathway is absent in humans and hence represents a promising target for novel therapeutics. E. histolytica expresses three isoforms of OASS and knockdown studies showed the importance of these enzymes for the survival of the pathogen. Here, we report the crystal structure of OASS isoform 3 from E. histolytica to 1.54 A resolution. The active site geometries and kinetics of EhOASS3 and EhOASS1 structures were found to be very similar. Small-molecule libraries were screened against EhOASS3 and compounds were shortlisted based on the docking scores. F3226-1387 showed best inhibition with IC50 of 38 muM against EhOASS3 and was able to inhibit the growth of the organism to 72%. | ||
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| + | Crystal structure of O-Acetylserine sulfhydralase (OASS) isoform 3 from Entamoeba histolytica: Pharmacophore-based virtual screening and validation of novel inhibitors.,Dharavath S, Vijayan R, Kumari K, Tomar P, Gourinath S Eur J Med Chem. 2020 Apr 15;192:112157. doi: 10.1016/j.ejmech.2020.112157. Epub, 2020 Feb 19. PMID:32145643<ref>PMID:32145643</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6kr5" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Entamoeba histolytica]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Dharavath S]] | [[Category: Dharavath S]] | ||
[[Category: Gourinath S]] | [[Category: Gourinath S]] | ||
Current revision
Crystal structure of O-Acetyl Serine Sulfhydrylase isoform 3 from Entamoeba histolytica
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