1h3a: Difference between revisions
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[[Image:1h3a.gif|left|200px]] | [[Image:1h3a.gif|left|200px]] | ||
'''STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO A HOMOLGOUS ENZYME''' | {{Structure | ||
|PDB= 1h3a |SIZE=350|CAPTION= <scene name='initialview01'>1h3a</scene>, resolution 2.85Å | |||
|SITE= <scene name='pdbsite=C8A:R04+Binding+Site+For+Chain+C'>C8A</scene> | |||
|LIGAND= <scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene> and <scene name='pdbligand=R04:(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE'>R04</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO A HOMOLGOUS ENZYME''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1H3A is a [ | 1H3A is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H3A OCA]. | ||
==Reference== | ==Reference== | ||
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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/12747780 12747780] | ||
[[Category: Alicyclobacillus acidocaldarius]] | [[Category: Alicyclobacillus acidocaldarius]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: cholesterol biosynthesis]] | [[Category: cholesterol biosynthesis]] | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
[[Category: | [[Category: interaction]] | ||
[[Category: isomerase]] | [[Category: isomerase]] | ||
[[Category: monotopic membrane protein]] | [[Category: monotopic membrane protein]] | ||
[[Category: oxidosqualene cyclase]] | [[Category: oxidosqualene cyclase]] | ||
''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 11:31:40 2008'' | ||
Revision as of 12:31, 20 March 2008
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| Coordinates: | save as pdb, mmCIF, xml | ||||||
STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO A HOMOLGOUS ENZYME
OverviewOverview
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.
About this StructureAbout this Structure
1H3A is a Single protein structure of sequence from Alicyclobacillus acidocaldarius. Full crystallographic information is available from OCA.
ReferenceReference
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
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