3rx3: Difference between revisions

← Older edit Newer edit →

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-{{STRUCTURE_3rx3|  PDB=3rx3  |  SCENE=  }}
+==Crystal Structure of Human Aldose Reductase Complexed with Sulindac==
-===Crystal Structure of Human Aldose Reductase Complexed with Sulindac===
+<StructureSection load='3rx3' size='340' side='right' caption='[[3rx3]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
-{{ABSTRACT_PUBMED_22155003}}
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3rx3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RX3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RX3 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=SUZ:[(1Z)-5-FLUORO-2-METHYL-1-{4-[METHYLSULFINYL]BENZYLIDENE}-1H-INDEN-3-YL]ACETIC+ACID'>SUZ</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3rx2|3rx2]], [[3rx4|3rx4]]</td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">AKR1B1, ALDR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </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=3rx3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rx3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rx3 RCSB], [http://www.ebi.ac.uk/pdbsum/3rx3 PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Sulindac (SLD) exhibits both the highest inhibitory activity towards human aldose reductase (AR) among popular non-steroidal anti-inflammatory drugs and clear beneficial clinical effects on Type 2 diabetes. However, the molecular basis for these properties is unclear. Here, we report that SLD and its pharmacologically active/inactive metabolites, SLD sulfide and SLD sulfone, are equally effective as un-competitive inhibitors of AR in vitro. Crystallographic analysis reveals that pi-pi stacking favored by the distinct scaffold of SLDs is pivotal to their high AR inhibitory activities. These results also suggest that SLD sulfone could be a potent lead compound for AR inhibition in vivo.
-==Function==
+The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.,Zheng X, Zhang L, Zhai J, Chen Y, Luo H, Hu X FEBS Lett. 2012 Jan 2;586(1):55-9. Epub 2011 Dec 8. PMID:22155003<ref>PMID:22155003</ref>
-[[http://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN]] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[3rx3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RX3 OCA].
+</div>
 ==See Also==
 *[[Aldose Reductase|Aldose Reductase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:022155003</ref><references group="xtra"/><references/>
+__TOC__
+</StructureSection>
 [[Category: Aldehyde reductase]]
 [[Category: Homo sapiens]]
-[[Category: Chen, J.]]
+[[Category: Chen, J]]
-[[Category: Hu, X.]]
+[[Category: Hu, X]]
-[[Category: Luo, H.]]
+[[Category: Luo, H]]
-[[Category: Zheng, X.]]
+[[Category: Zheng, X]]
 [[Category: Aldose reductase]]
 [[Category: Oxidoreductase]]