5ha7: Difference between revisions
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==Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121== | |||
<StructureSection load='5ha7' size='340' side='right'caption='[[5ha7]], [[Resolution|resolution]] 1.65Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5ha7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HA7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HA7 FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.65Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=WY1:2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC+ACID'>WY1</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=5ha7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ha7 OCA], [https://pdbe.org/5ha7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ha7 RCSB], [https://www.ebi.ac.uk/pdbsum/5ha7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ha7 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://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. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The peroxisome proliferator, WY 14,643 exhibits a pure non-competitive inhibition pattern in the aldehyde reduction and in alcohol oxidation activities of human Aldose reductase (hAR). Fluorescence emission measurements of the equilibrium dissociation constants, Kd, of oxidized (hAR*NADP+) and reduced (hAR*NADPH) holoenzyme complexes display a 2-fold difference between them. Kd values for the dissociation of WY 14,643 from the oxidized (hAR*NADP+*WY 14,643) and reduced (hAR*NADPH*WY 14,643) ternary complexes are comparable to each other. The ternary complex structure of hAR*NADP+*WY 14,643 reveals the first structural evidence of a fibrate class drug binding to hAR. These observations demonstrate how fibrate molecules such as WY 14,643, besides being valued as agonists for PPAR, also inhibit hAR. | |||
Characterization of WY 14,643 and its Complex with Aldose Reductase.,Sawaya MR, Verma M, Balendiran V, Rath NP, Cascio D, Balendiran GK Sci Rep. 2016 Oct 10;6:34394. doi: 10.1038/srep34394. PMID:27721416<ref>PMID:27721416</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 5ha7" style="background-color:#fffaf0;"></div> | ||
[[Category: Balendiran | |||
[[Category: Cascio | ==See Also== | ||
*[[Aldose reductase 3D structures|Aldose reductase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | |||
[[Category: Balendiran GK]] | |||
[[Category: Cascio D]] | |||
[[Category: Sawaya MR]] | |||
Latest revision as of 10:28, 9 August 2023
Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121
Structural highlights
FunctionALDR_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. Publication Abstract from PubMedThe peroxisome proliferator, WY 14,643 exhibits a pure non-competitive inhibition pattern in the aldehyde reduction and in alcohol oxidation activities of human Aldose reductase (hAR). Fluorescence emission measurements of the equilibrium dissociation constants, Kd, of oxidized (hAR*NADP+) and reduced (hAR*NADPH) holoenzyme complexes display a 2-fold difference between them. Kd values for the dissociation of WY 14,643 from the oxidized (hAR*NADP+*WY 14,643) and reduced (hAR*NADPH*WY 14,643) ternary complexes are comparable to each other. The ternary complex structure of hAR*NADP+*WY 14,643 reveals the first structural evidence of a fibrate class drug binding to hAR. These observations demonstrate how fibrate molecules such as WY 14,643, besides being valued as agonists for PPAR, also inhibit hAR. Characterization of WY 14,643 and its Complex with Aldose Reductase.,Sawaya MR, Verma M, Balendiran V, Rath NP, Cascio D, Balendiran GK Sci Rep. 2016 Oct 10;6:34394. doi: 10.1038/srep34394. PMID:27721416[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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