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1ef3
From Proteopedia
(New page: 200px<br /> <applet load="1ef3" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ef3, resolution 2.8Å" /> '''FIDARESTAT BOUND TO ...) |
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| - | [[Image:1ef3. | + | [[Image:1ef3.jpg|left|200px]]<br /><applet load="1ef3" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="1ef3, resolution 2.8Å" /> | caption="1ef3, resolution 2.8Å" /> | ||
'''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''<br /> | '''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1EF3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NAP and FID as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | + | 1EF3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NAP:'>NAP</scene> and <scene name='pdbligand=FID:'>FID</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EF3 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 15:42:42 2008'' |
Revision as of 13:42, 15 February 2008
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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 with and as ligands. Active as Aldehyde reductase, with EC number 1.1.1.21 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
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