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Yorodumi- PDB-3bfa: Crystal structure of a pheromone binding protein from Apis mellif... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3bfa | ||||||
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Title | Crystal structure of a pheromone binding protein from Apis mellifera in complex with the Queen mandibular pheromone | ||||||
Components | Pheromone-binding protein ASP1 | ||||||
Keywords | PHEROMONE BINDING PROTEIN / Honeybee / Apis mellifera / Signal transduction / Queen mandibular pheromone / PHEROMONE-BINDING PROTEIN | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Apis mellifera (honey bee) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.25 Å | ||||||
Authors | Pesenti, M.E. / Spinelli, S. / Bezirard, V. / Briand, L. / Pernollet, J.C. / Tegoni, M. / Cambillau, C. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2008 Title: Structural basis of the honey bee PBP pheromone and pH-induced conformational change Authors: Pesenti, M.E. / Spinelli, S. / Bezirard, V. / Briand, L. / Pernollet, J.C. / Tegoni, M. / Cambillau, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3bfa.cif.gz | 38.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3bfa.ent.gz | 26.1 KB | Display | PDB format |
PDBx/mmJSON format | 3bfa.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bf/3bfa ftp://data.pdbj.org/pub/pdb/validation_reports/bf/3bfa | HTTPS FTP |
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-Related structure data
Related structure data | 3bfbC 3bfhC 3cabC 3cdnC 1r5r C: citing same article (ref.) S: Starting model for refinement |
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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 on special symmetry positions |
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-Components
#1: Protein | Mass: 13194.789 Da / Num. of mol.: 1 / Fragment: UNP residues 26-144 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Apis mellifera (honey bee) / Plasmid: pHIL-D2 / Production host: Pichia pastoris (fungus) / References: UniProt: Q9U9J6, UniProt: Q8WRW5*PLUS |
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#2: Chemical | ChemComp-9OD / ( |
#3: Chemical | ChemComp-GOL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.02 Å3/Da / Density % sol: 59.22 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 1.8M ammonium sulphate, 0.1M sodium citrate, pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-3 / Wavelength: 0.931 Å |
Detector | Type: ADSC QUANTUM 4r / Detector: CCD / Date: Feb 9, 2007 / Details: Tiroidal mirror |
Radiation | Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.931 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→57.3 Å / Num. all: 7888 / Num. obs: 7888 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 43.67 Å2 / Rmerge(I) obs: 0.067 / Rsym value: 0.067 / Net I/σ(I): 16.9 |
Reflection shell | Resolution: 2.25→2.37 Å / Redundancy: 4.4 % / Rmerge(I) obs: 0.518 / Mean I/σ(I) obs: 2.7 / Num. unique all: 1119 / Rsym value: 0.518 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: PDB ENTRY 1R5R 1r5r Resolution: 2.25→40 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.924 / SU B: 11.065 / SU ML: 0.147 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.241 / ESU R Free: 0.207 / 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: 55.524 Å2
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Refine analyze | Luzzati coordinate error free: 0.207 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.25→2.309 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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