+Open data
-Basic information
Entry | Database: PDB / ID: 1w6j | ||||||
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Title | Structure of human OSC in complex with Ro 48-8071 | ||||||
Components | LANOSTEROL SYNTHASE | ||||||
Keywords | ISOMERASE / CYCLASE / CHOLESTEROL / LANOSTEROL / MONOTOPIC MEMBRANE PROTEIN / B-OCTYL-GLUCOSIDE / STEROID BIOSYNTHESIS | ||||||
Function / homology | Function and homology information OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #20 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Prenyltransferase and squalene oxidase repeat / Glycosyltransferase - #20 / Other non-globular / Glycosyltransferase / Alpha/alpha barrel / Special / Mainly Alpha Similarity search - Domain/homology | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Thoma, R. / Schulz-Gasch, T. / D'Arcy, B. / Benz, J. / Aebi, J. / Dehmlow, H. / Hennig, M. / Ruf, A. | ||||||
Citation | Journal: Nature / Year: 2004 Title: Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase Authors: Thoma, R. / Schulz-Gasch, T. / D'Arcy, B. / Benz, J. / Aebi, J. / Dehmlow, H. / Hennig, M. / Stihle, M. / Ruf, A. #1: Journal: Biochem.Biophys.Res.Commun. / Year: 2004 Title: The Monotopic Membrane Protein Human Osc is Active as Monomer Authors: Ruf, A. / Muller, F. / D'Arcy, B. / Stihle, M. / Kuznir, E. / Handschin, C. / Morand, O. / Thoma, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1w6j.cif.gz | 168.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1w6j.ent.gz | 131.3 KB | Display | PDB format |
PDBx/mmJSON format | 1w6j.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1w6j_validation.pdf.gz | 494.8 KB | Display | wwPDB validaton report |
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Full document | 1w6j_full_validation.pdf.gz | 522.3 KB | Display | |
Data in XML | 1w6j_validation.xml.gz | 15.8 KB | Display | |
Data in CIF | 1w6j_validation.cif.gz | 26.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/w6/1w6j ftp://data.pdbj.org/pub/pdb/validation_reports/w6/1w6j | HTTPS FTP |
-Related structure data
Related structure data | 1w6kC 2sqcS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 83406.648 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PPICZB / Production host: PICHIA PASTORIS (fungus) / Strain (production host): GS115 / References: UniProt: P48449, EC: 5.4.99.7 | ||||||||
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#2: Chemical | ChemComp-R71 / [ | ||||||||
#3: Sugar | #4: Chemical | ChemComp-C14 / | #5: Water | ChemComp-HOH / | Compound details | CATALYZES THE CYCLIZATION OF (S)-2,3 OXIDOSQUALENE TO LANOSTEROL, A REACTION THAT FORMS THE STEROL ...CATALYZES THE CYCLIZATIO | Nonpolymer details | (C14) UNIDENTIFI | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.61 Å3/Da / Density % sol: 65.92 % |
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Crystal grow | Details: 25% (W/V) PEG3350 0.4M AMMONIUM ACETATE 0.1M TRIS PH 8.5 10% (V/V) ETHYLENE GLYCOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 0.92004 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Mar 3, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92004 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→20 Å / Num. obs: 60002 / % possible obs: 98 % / Observed criterion σ(I): -3 / Redundancy: 3 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 7.7 |
Reflection shell | Resolution: 2.2→2.26 Å / Redundancy: 3 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 2.5 / % possible all: 97.5 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2SQC Resolution: 2.2→141.42 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.95 / SU B: 4.02 / SU ML: 0.102 / Cross valid method: THROUGHOUT / ESU R: 0.172 / ESU R Free: 0.15 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.08 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→141.42 Å
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Refine LS restraints |
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