1iei
From Proteopedia
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| - | [[Image:1iei.gif|left|200px]] | + | [[Image:1iei.gif|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.''' | + | {{Structure |
| + | |PDB= 1iei |SIZE=350|CAPTION= <scene name='initialview01'>1iei</scene>, resolution 2.5Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene> and <scene name='pdbligand=ZES:[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID'>ZES</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1IEI is a [ | + | 1IEI is a [[Single protein]] structure of 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=1IEI OCA]. |
==Reference== | ==Reference== | ||
| - | The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat., Kinoshita T, Miyake H, Fujii T, Takakura S, Goto T, Acta Crystallogr D Biol Crystallogr. 2002 Apr;58(Pt 4):622-6. Epub 2002, Mar 22. PMID:[http:// | + | The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat., Kinoshita T, Miyake H, Fujii T, Takakura S, Goto T, Acta Crystallogr D Biol Crystallogr. 2002 Apr;58(Pt 4):622-6. Epub 2002, Mar 22. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11914486 11914486] |
[[Category: Aldehyde reductase]] | [[Category: Aldehyde reductase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:49:19 2008'' |
Revision as of 09:49, 20 March 2008
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| , resolution 2.5Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | and | ||||||
| Activity: | Aldehyde reductase, with EC number 1.1.1.21 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.
Overview
The crystal structure of the complex of human recombinant aldose reductase (AR) with zenarestat, one of its potent inhibitors, has been solved at 2.5 A resolution. Zenarestat fits neatly in the hydrophobic active site and induces unique and dramatic conformational changes. For example, the benzene ring of zenarestat occupies a gap in the side chains of Leu300 and Trp111 that interact directly and forms a CH-pi interaction in the native holoenzyme. As a result, the benzene ring of the inhibitor and these side chains form a CH-pi-pi interaction. Such structural information is key to understanding the mode of action of this class of inhibitors and for rational design of better therapeutics.
About this Structure
1IEI is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat., Kinoshita T, Miyake H, Fujii T, Takakura S, Goto T, Acta Crystallogr D Biol Crystallogr. 2002 Apr;58(Pt 4):622-6. Epub 2002, Mar 22. PMID:11914486
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