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[[Image:1ef3.png|left|200px]]


{{STRUCTURE_1ef3| PDB=1ef3 | SCENE= }}
==FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE==
<StructureSection load='1ef3' size='340' side='right'caption='[[1ef3]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1ef3]] 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=1EF3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EF3 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]] 2.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FID:(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2,5-DIONE'>FID</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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=1ef3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ef3 OCA], [https://pdbe.org/1ef3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ef3 RCSB], [https://www.ebi.ac.uk/pdbsum/1ef3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ef3 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.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ef/1ef3_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ef3 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The absolute configuration of the aldose reductase (AR) inhibitor, (+)-(2S,4S)-6-fluoro-2',5'-dioxospiro inverted question markchroman-4, 4'-imidazolidine-2-carboxamide (fidarestat), was established indirectly by single-crystal X-ray analysis of (+)-(2S, 4S)-8-bromo-6-fluoro-2',5'-dioxospiro inverted question markchroman-4, 4'-imidazolidine-2-carboxylic acid (1). The crystal structure of human AR complexed with fidarestat was determined, and the specific inhibition activity was discussed on the basis of the three-dimensional interactions between them. The structure clarified that fidarestat was located in the active site by hydrophilic and hydrophobic interactions and that the carbamoyl group of fidarestat was a very effective substituent for affinity to AR and for selectivity between AR and aldehyde reductase (AHR). Explanations for the differences between the observed activities of fidarestat and its stereoisomer 2 were suggested by computer modeling.


===FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE===
A potent aldose reductase inhibitor, (2S,4S)-6-fluoro-2', 5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide (Fidarestat): its absolute configuration and interactions with the aldose reductase by X-ray crystallography.,Oka M, Matsumoto Y, Sugiyama S, Tsuruta N, Matsushima M J Med Chem. 2000 Jun 15;43(12):2479-83. PMID:10882376<ref>PMID:10882376</ref>


{{ABSTRACT_PUBMED_10882376}}
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
==About this Structure==
<div class="pdbe-citations 1ef3" style="background-color:#fffaf0;"></div>
[[1ef3]] is a 2 chain structure of [[Aldose Reductase]] 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=1EF3 OCA].


==See Also==
==See Also==
*[[Aldose Reductase|Aldose Reductase]]
*[[Aldose reductase 3D structures|Aldose reductase 3D structures]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:010882376</ref><references group="xtra"/>
__TOC__
[[Category: Aldehyde reductase]]
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Matsumoto, Y.]]
[[Category: Large Structures]]
[[Category: Matsushima, M.]]
[[Category: Matsumoto Y]]
[[Category: Oka, M.]]
[[Category: Matsushima M]]
[[Category: Sugiyama, S.]]
[[Category: Oka M]]
[[Category: Tsuruta, N.]]
[[Category: Sugiyama S]]
[[Category: Beta barrel]]
[[Category: Tsuruta N]]
[[Category: Oxidoreductase]]
[[Category: Protein-inhibitor complex]]
Retrieved from "https://proteopedia.org/1ef3"