1h3b: Difference between revisions
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|PDB= 1h3b |SIZE=350|CAPTION= <scene name='initialview01'>1h3b</scene>, resolution 2.8Å | |PDB= 1h3b |SIZE=350|CAPTION= <scene name='initialview01'>1h3b</scene>, resolution 2.8Å | ||
|SITE= <scene name='pdbsite=C8A:R46+Binding+Site+For+Chain+C'>C8A</scene> | |SITE= <scene name='pdbsite=C8A:R46+Binding+Site+For+Chain+C'>C8A</scene> | ||
|LIGAND= <scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene> | |LIGAND= <scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R46:N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE'>R46</scene> | ||
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1h3b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h3b OCA], [http://www.ebi.ac.uk/pdbsum/1h3b PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1h3b RCSB]</span> | |||
}} | }} | ||
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[[Category: Schulz, G E.]] | [[Category: Schulz, G E.]] | ||
[[Category: Weihofen, W A.]] | [[Category: Weihofen, W A.]] | ||
[[Category: cholesterol biosynthesis]] | [[Category: cholesterol biosynthesis]] | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
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[[Category: oxidosqualene cyclase]] | [[Category: oxidosqualene cyclase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:56:49 2008'' | ||
Revision as of 20:56, 30 March 2008
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| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
SQUALENE-HOPENE CYCLASE
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
1H3B 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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