3rx4 | pdb_00003rx4

Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide

spinqualitylabelsall models 3rx4, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3rx4 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: NAP, SFI Related: 3rx2, 3rx3 Gene: AKR1B1, ALDR1 (Homo sapiens) Activity: Aldehyde reductase, with EC number 1.1.1.21 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Sulindac (SLD) exhibits both the highest inhibitory activity towards human aldose reductase (AR) among popular non-steroidal anti-inflammatory drugs and clear beneficial clinical effects on Type 2 diabetes. However, the molecular basis for these properties is unclear. Here, we report that SLD and its pharmacologically active/inactive metabolites, SLD sulfide and SLD sulfone, are equally effective as un-competitive inhibitors of AR in vitro. Crystallographic analysis reveals that pi-pi stacking favored by the distinct scaffold of SLDs is pivotal to their high AR inhibitory activities. These results also suggest that SLD sulfone could be a potent lead compound for AR inhibition in vivo. The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.,Zheng X, Zhang L, Zhai J, Chen Y, Luo H, Hu X FEBS Lett. 2012 Jan 2;586(1):55-9. Epub 2011 Dec 8. PMID:22155003 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Aldose Reductase

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