1O6Q: Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme

Citation:
Abstract
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.
PDB ID: 1O6QDownload
MMDB ID: 24985
PDB Deposition Date: 2002/10/13
Updated in MMDB: 2013/11
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 1O6Q: dimeric; determined by author and by software (PQS)
Molecular Components in 1O6Q
Label Count Molecule
Proteins (2 molecules)
2
Squalene--hopene Cyclase
Molecule annotation
Chemicals (4 molecules)
1
2
2
2
* Click molecule labels to explore molecular sequence information.

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