1ef3

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[[Image:1ef3.jpg|left|200px]]
[[Image:1ef3.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1ef3 |SIZE=350|CAPTION= <scene name='initialview01'>1ef3</scene>, resolution 2.8&Aring;
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The line below this paragraph, containing "STRUCTURE_1ef3", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=FID:(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4&#39;-IMIDAZOLIDINE]-2&#39;,5&#39;-DIONE'>FID</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <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>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1ef3| PDB=1ef3 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ef3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ef3 OCA], [http://www.ebi.ac.uk/pdbsum/1ef3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ef3 RCSB]</span>
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}}
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'''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''
'''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''
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[[Category: Sugiyama, S.]]
[[Category: Sugiyama, S.]]
[[Category: Tsuruta, N.]]
[[Category: Tsuruta, N.]]
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[[Category: beta barrel]]
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[[Category: Beta barrel]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:01:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:01:19 2008''
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Revision as of 12:01, 2 May 2008

Image:1ef3.jpg

Template:STRUCTURE 1ef3

FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE


Overview

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.

About this Structure

1EF3 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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 Page seeded by OCA on Fri May 2 15:01:17 2008

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