5u6x
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==COX-1:P6 COMPLEX STRUCTURE== | |
| + | <StructureSection load='5u6x' size='340' side='right' caption='[[5u6x]], [[Resolution|resolution]] 2.93Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5u6x]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U6X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5U6X FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6A:3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole'>P6A</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3n8z|3n8z]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Prostaglandin-endoperoxide_synthase Prostaglandin-endoperoxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.99.1 1.14.99.1] </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=5u6x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u6x OCA], [http://pdbe.org/5u6x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5u6x RCSB], [http://www.ebi.ac.uk/pdbsum/5u6x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5u6x ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/PGH1_SHEEP PGH1_SHEEP]] May play an important role in regulating or promoting cell proliferation in some normal and neoplastically transformed cells. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The diarylisoxazole molecular scaffold is found in several NSAIDs, especially those with high selectivity for COX-1. Here, we have determined the structural basis for COX-1 binding to two diarylisoxazoles: mofezolac, which is polar and ionizable, and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6) that has very low polarity. X-ray analysis of the crystal structures of COX-1 bound to mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole allowed the identification of specific binding determinants within the enzyme active site, relevant to generate structure/activity relationships for diarylisoxazole NSAIDs. | ||
| - | + | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).,Cingolani G, Panella A, Perrone MG, Vitale P, Di Mauro G, Fortuna CG, Armen RS, Ferorelli S, Smith WL, Scilimati A Eur J Med Chem. 2017 Jun 24;138:661-668. doi: 10.1016/j.ejmech.2017.06.045. PMID:28710965<ref>PMID:28710965</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | [[Category: | + | <div class="pdbe-citations 5u6x" style="background-color:#fffaf0;"></div> |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Prostaglandin-endoperoxide synthase]] | ||
[[Category: Cingolani, G]] | [[Category: Cingolani, G]] | ||
| - | [[Category: Vitale, P]] | ||
| - | [[Category: Scilimati, A]] | ||
[[Category: Panella, A]] | [[Category: Panella, A]] | ||
| - | [[Category: Perrone, M | + | [[Category: Perrone, M G]] |
| + | [[Category: Scilimati, A]] | ||
| + | [[Category: Smith, W L]] | ||
| + | [[Category: Vitale, P]] | ||
| + | [[Category: Cox-1]] | ||
| + | [[Category: Cyclooxygenase]] | ||
| + | [[Category: Heme]] | ||
| + | [[Category: Oxidoreductase]] | ||
| + | [[Category: P6]] | ||
| + | [[Category: Peroxidase]] | ||
| + | [[Category: Prostaglandin]] | ||
Revision as of 09:05, 9 August 2017
COX-1:P6 COMPLEX STRUCTURE
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