Brand  (β version)

PDB ID: 1GSZ

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Ligands
Code Name Style Show Link
C8E (hydroxyethyloxy)tri(ethyloxy)octane PoSSuM
R71 [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone PoSSuM
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Structure summary

Code : 1GSZ   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Release Data : 2003-01-16
Compound :
mol_id molecule chains
1 SQUALENE--HOPENE CYCLASE A,B,C
ec: 5.4.99.17
Source :
mol_id organism_scientific expression_system
1 ALICYCLOBACILLUS ACIDOCALDARIUS  (taxid:405212) ESCHERICHIA COLI K-12  (taxid:83333)
expression_system_variant: JM105
expression_system_vector_type: PLASMID
expression_system_plasmid: PKK223-3
other_details: THERMOSTABLE, ACIDOPHILIC
Authors : Lenhart, A., Weihofen, W.A., Pleschke, A.E.W., Schulz, G.E.
Keywords : ISOMERASE, CHOLESTEROL BIOSYNTHESIS, INHIBITOR OXIDOSQUALENE CYCLASE, MONOTOPIC MEMBRANE PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.8 Å )
Citation :

Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071

Lenhart, A.,Weihofen, W.A.,Pleschke, A.E.W.  et al.
(2002)  Chem.Biol.  9 : 639

PubMed: 12031670
DOI: 10.1016/S1074-5521(02)00138-2

The Structure of the Membrane Protein Squalene-Hopene Cyclase at 2.0 A Resolution

Wendt, K.U.,Lenhart, A.,Schulz, G.E.
(1999)  J.Mol.Biol.  286 : 175

PubMed: 9931258
DOI: 10.1006/JMBI.1998.2470

Structure and Function of a Squalene Cyclase

Wendt, K.U.,Poralla, K.,Schulz, G.E.
(1997)  Science  277 : 1811

PubMed: 9295270
DOI: 10.1126/SCIENCE.277.5333.1811

Crystallization and Preliminary X-Ray Crystallographic Analysis of Squalene-Hopene Cyclase from Alicyclobacillus Acidocaldarius

Wendt, K.U.,Feil, C.,Lenhart, A.  et al.
(1997)  Protein Sci.  6 : 722

PubMed: 9070455

Ro48-8071, a New 2,3-Oxidosqualene:Lanosterol Cyclase Inhibitor Lowering Plasma Cholesterol in Hamsters, Squirrel Monkeys, and Minipigs: Comparison to Simvastatin

Morand, O.H.,Aebi, J.D.,Dehmlow, H.  et al.
(1997)  J.Lipid Res.  38 : 373

PubMed: 9162756

Reaction

Chain : A, B, C
UniProt : P33247 (SQHC_ALIAD)
Reaction: EC: Evidence:
Physiological Direction:
squalene = hop-22(29)-ene 5.4.99.17 PubMed:12031670, PubMed:2253626, Ref.6
left-to-right PubMed:2253626, Ref.6
squalene + H2O = hopan-22-ol 4.2.1.129 PubMed:12031670, Ref.6
left-to-right Ref.6