7o2s
From Proteopedia
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==Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni== | ==Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni== | ||
| - | <StructureSection load='7o2s' size='340' side='right'caption='[[7o2s]]' scene=''> | + | <StructureSection load='7o2s' size='340' side='right'caption='[[7o2s]], [[Resolution|resolution]] 2.28Å' 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=7O2S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7O2S FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7o2s]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7O2S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7O2S FirstGlance]. <br> |
| - | </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=7o2s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7o2s OCA], [https://pdbe.org/7o2s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7o2s RCSB], [https://www.ebi.ac.uk/pdbsum/7o2s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7o2s ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> |
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7ng1|7ng1]], [[7bm4|7bm4]], [[7nex|7nex]]</div></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </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=7o2s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7o2s OCA], [https://pdbe.org/7o2s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7o2s RCSB], [https://www.ebi.ac.uk/pdbsum/7o2s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7o2s ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [[https://www.uniprot.org/uniprot/A0A3Q0KSG2_SCHMA A0A3Q0KSG2_SCHMA]] Reversible hydration of carbon dioxide.[RuleBase:RU367011] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Tegumental carbonic anhydrase from the worm Schistosoma mansoni (SmCA) is considered a new anti-parasitic target because suppressing its expression interferes with schistosome metabolism and virulence. Here, we present the inhibition profiles of selenoureido compounds on recombinant SmCA and resolution of the first X-ray crystal structures of SmCA in adduct with a selection of such inhibitors. The key molecular features of such compounds in adduct with SmCA were obtained and compared to the human isoform hCA II, in order to understand the main structural factors responsible for enzymatic affinity and selectivity. Compounds that more specifically inhibited the schistosome versus human enzymes were identified. The results expand current knowledge in the field and pave the way for the development of more potent antiparasitic agents in the near future. | ||
| + | |||
| + | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.,Angeli A, Ferraroni M, Da'dara AA, Selleri S, Pinteala M, Carta F, Skelly PJ, Supuran CT J Med Chem. 2021 Jul 22;64(14):10418-10428. doi: 10.1021/acs.jmedchem.1c00840., Epub 2021 Jul 7. PMID:34232641<ref>PMID:34232641</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7o2s" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Carbonate dehydratase]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Angeli A]] | + | [[Category: Angeli, A]] |
| - | [[Category: Ferraroni M]] | + | [[Category: Ferraroni, M]] |
| + | [[Category: Complex]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Lyase]] | ||
Revision as of 13:05, 4 May 2022
Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni
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