1o79

Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme

spinqualitylabelsall models 1o79, resolution 2.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 1o79 is a 3 chain structure with sequence from Alicyclobacillus acidocaldarius. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.8Å Ligands: C8E, R23 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function SQHC_ALIAD Catalyzes the cyclization of squalene into hopene. Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed The binding structures of 11 human oxidosqualene cyclase inhibitors designed as cholesterol-lowering agents were determined for the squalene-hopene cyclase from Alicyclobacillus acidocaldarius, which is the only structurally known homologue of the human enzyme. The complexes were produced by cocrystallization, and the structures were elucidated by X-ray diffraction analyses. All inhibitors were bound in the large active center cavity. The detailed binding structures are presented and discussed in the light of the IC50 values of these 11 as well as 17 other inhibitors. They provide a consistent picture for the inhibition of the bacterial enzyme and can be used to adjust and improve homology models of the human enzyme. The detailed active center structures of the two enzymes are too different to show an IC50 correlation. Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase.,Lenhart A, Reinert DJ, Aebi JD, Dehmlow H, Morand OH, Schulz GE J Med Chem. 2003 May 22;46(11):2083-92. PMID:12747780 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Squalene-hopene cyclase

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