5tuo
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.== | |
| + | <StructureSection load='5tuo' size='340' side='right' caption='[[5tuo]], [[Resolution|resolution]] 2.50Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5tuo]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TUO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TUO FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1SA:5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>1SA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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">[[5tt3|5tt3]], [[5tt8|5tt8]], [[5tv3|5tv3]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tuo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tuo OCA], [http://pdbe.org/5tuo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tuo RCSB], [http://www.ebi.ac.uk/pdbsum/5tuo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tuo ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | alpha-Carbonic anhydrase of Helicobacter pylori (HpalphaCA) plays an important role in the acclimation of this oncobacterium to the acidic pH of the stomach. Sulfonamide inhibitors of HpalphaCA possess anti-H. pylori activity. The crystal structures of complexes of HpalphaCA with a family of acetazolamide-related sulfonamides have been determined. Analysis of the structures revealed that the mode of sulfonamide binding correlates well with their inhibitory activities. In addition, comparisons with the corresponding inhibitor complexes of human carbonic anhydrase II (HCAII) indicated that HpalphaCA possesses an additional, alternative binding site for sulfonamides that is not present in HCAII. Furthermore, the hydrophobic pocket in HCAII that stabilizes the apolar moiety of sulfonamide inhibitors is replaced with a more open, hydrophilic pocket in HpalphaCA. Thus, our analysis identified major structural features can be exploited in the design of selective and more potent inhibitors of HpalphaCA that may lead to novel antimicrobials. | ||
| - | + | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.,Modak JK, Liu YC, Supuran CT, Roujeinikova A J Med Chem. 2016 Dec 22;59(24):11098-11109. doi: 10.1021/acs.jmedchem.6b01333., Epub 2016 Dec 8. PMID:28002963<ref>PMID:28002963</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 5tuo" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Carbonate dehydratase]] | ||
| + | [[Category: Modak, J K]] | ||
[[Category: Roujeinikova, A]] | [[Category: Roujeinikova, A]] | ||
| - | [[Category: | + | [[Category: 4-thiadiazole-2-sulfonamide]] |
| + | [[Category: 5-amino-1]] | ||
| + | [[Category: Alpha-carbonic anhydrase]] | ||
| + | [[Category: Helicobacter pylori]] | ||
| + | [[Category: Lyase]] | ||
| + | [[Category: Lyase-lyase inhibitor complex]] | ||
| + | [[Category: Zinc metalloenzyme]] | ||
Revision as of 10:43, 13 September 2017
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
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