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| [[Image:1x96.jpg|left|200px]] | | {{Seed}} |
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| {{STRUCTURE_1x96| PDB=1x96 | SCENE= }} | | {{STRUCTURE_1x96| PDB=1x96 | SCENE= }} |
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| '''Crystal structure of Aldose Reductase with citrates bound in the active site'''
| | ===Crystal structure of Aldose Reductase with citrates bound in the active site=== |
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| ==Overview==
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| Structure determinations of human aldose reductase holoenzyme in complex with the 2S4R-,2R4S- and 2R4R-isomers of the potent inhibitor Fidarestat ((2S,4S)-6-fluoro-2',5'-dioxospiro[chroman-4,4'-imidazoline]-2-carboxamide ) were carried out in order to elucidate the binding modes responsible for the differences in their inhibitory potencies. In the complex structure with the 2R4S-isomer the cyclic imide moiety formed hydrogen bonds with the side-chains of Trp111, Tyr48 and His110. In the attempt to determine the complex structure with the least potent 2R4R-isomer this ligand was not observed, and instead, the active site was simultaneously occupied by two citrate molecules (occupancies of 60% and 40%). In the case of 2S4R, the active site was occupied by a citrate molecule which anchors the 2S4R-isomer from its carbamoyl group. The structures of the complexes suggest that the differences in the interactions between the cyclic imide rings and carbamoyl groups of the compounds with residues His110, Trp111, Trp219 and Cys298 account for differences in their inhibitory potencies.
| | The line below this paragraph, {{ABSTRACT_PUBMED_15317464}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 15317464 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_15317464}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Eight strandard alpha/beta barrel]] | | [[Category: Eight strandard alpha/beta barrel]] |
| [[Category: The c-terminal end of the barrel]] | | [[Category: The c-terminal end of the barrel]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 14:43:44 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 07:59:08 2008'' |