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2ine

From Proteopedia

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[[Image:2ine.gif|left|200px]]
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{{STRUCTURE_2ine| PDB=2ine | SCENE= }}
{{STRUCTURE_2ine| PDB=2ine | SCENE= }}
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'''Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid'''
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===Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid===
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==Overview==
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The competitive inhibition constants of series of inhibitors related to phenylacetic acid against both wild-type and the doubly mutanted C298A/W219Y aldose reductase have been measured. Van't Hoff analysis shows that these acids bind with an enthalpy near -6.8 kcal/mol derived from the electrostatic interactions, while the 100-fold differences in binding affinity appear to be largely due to entropic factors that result from differences in conformational freedom in the unbound state. These temperature studies also point out the difference between substrate and inhibitor binding. X-ray crystallographic analysis of a few of these inhibitor complexes both confirms the importance of a previously described anion binding site and reveals the hydrophobic nature of the primary binding site and its general plasticity. Based on these results, N-glycylthiosuccinimides were synthesized to demonstrate their potential in studies that probe distal binding sites. Reduced alpha-lipoic acid, an anti-oxidant and therapeutic for diabetic complications, was shown to bind aldose reductase with a binding constant of 1 microM.
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{{ABSTRACT_PUBMED_17083960}}
==About this Structure==
==About this Structure==
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Revision as of 13:07, 29 July 2008

Image:2ine.png

Template:STRUCTURE 2ine

Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid

Template:ABSTRACT PUBMED 17083960

About this Structure

2INE is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes., Brownlee JM, Carlson E, Milne AC, Pape E, Harrison DH, Bioorg Chem. 2006 Dec;34(6):424-44. Epub 2006 Nov 2. PMID:17083960

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