+Open data
-Basic information
Entry | Database: PDB / ID: 1oof | ||||||
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Title | Complex of Drosophila odorant binding protein LUSH with ethanol | ||||||
Components | odorant binding protein LUSH | ||||||
Keywords | TRANSPORT PROTEIN / LUSH / Alcohol / Odorant Binding | ||||||
Function / homology | Function and homology information diphenyl phthalate binding / response to pheromone / courtship behavior / dibutyl phthalate binding / pheromone binding / olfactory behavior / odorant binding / sensory perception of smell / response to ethanol / extracellular region Similarity search - Function | ||||||
Biological species | Drosophila melanogaster (fruit fly) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.49 Å | ||||||
Authors | Kruse, S.W. / Zhao, R. / Smith, D.P. / Jones, D.N.M. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 2003 Title: Structure of a specific alcohol-binding site defined by the odorant binding protein LUSH from Drosophila melanogaster Authors: Kruse, S.W. / Zhao, R. / Smith, D.P. / Jones, D.N.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1oof.cif.gz | 62.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1oof.ent.gz | 50.7 KB | Display | PDB format |
PDBx/mmJSON format | 1oof.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oo/1oof ftp://data.pdbj.org/pub/pdb/validation_reports/oo/1oof | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 14215.508 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Strain: Oregon R / Tissue: subset of trichoid olfactory sensilla / Gene: lush / Plasmid: pET28a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: O02372 #2: Chemical | ChemComp-ACT / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.06 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: PEG 4000, sodium acetate, ethanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 or 18 ℃ / pH: 4 / Method: vapor diffusion | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 105 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 0.97895 Å |
Detector | Type: SBC-1 / Detector: CCD / Date: Feb 21, 2002 / Details: Mirrors |
Radiation | Monochromator: SI 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97895 Å / Relative weight: 1 |
Reflection | Resolution: 1.49→30 Å / Num. all: 39458 / Num. obs: 38748 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / Rmerge(I) obs: 0.039 / Net I/σ(I): 25.4 |
Reflection shell | Resolution: 1.49→1.54 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.196 / Mean I/σ(I) obs: 2.5 / Num. unique all: 3918 / % possible all: 99.5 |
Reflection | *PLUS Num. measured all: 119487 |
Reflection shell | *PLUS % possible obs: 99.5 % |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.49→30 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.947 / SU B: 2.155 / SU ML: 0.081 / Isotropic thermal model: isotropic temperature factors / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.085 / ESU R Free: 0.085 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.19 Å2
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Refinement step | Cycle: LAST / Resolution: 1.49→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.49→1.57 Å / Total num. of bins used: 10
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Software | *PLUS Version: 5 / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS % reflection Rfree: 10 % / Rfactor Rfree: 0.21 / Rfactor Rwork: 0.178 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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