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Yorodumi- PDB-3u3w: Crystal Structure of Bacillus thuringiensis PlcR in complex with ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3u3w | ||||||
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Title | Crystal Structure of Bacillus thuringiensis PlcR in complex with the peptide PapR7 and DNA | ||||||
Components |
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Keywords | TRANSCRIPTION ACTIVATOR/DNA / ternary complex / PlcR-PAPR7-DNA / HTH DNA-binding domain / Quorum Sensing / HTH_3 (Helix-turn-helix) domain / TPR_1 (tetratricopeptide repeats) / Pleiotropic regulator / TRANSCRIPTION ACTIVATOR-DNA complex | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacillus thuringiensis (bacteria) Bacillus cereus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Grenha, R. / Slamti, L. / Bouillaut, L. / Lereclus, D. / Nessler, S. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2013 Title: Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR. Authors: Grenha, R. / Slamti, L. / Nicaise, M. / Refes, Y. / Lereclus, D. / Nessler, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3u3w.cif.gz | 162.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3u3w.ent.gz | 123.9 KB | Display | PDB format |
PDBx/mmJSON format | 3u3w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3u3w_validation.pdf.gz | 447.9 KB | Display | wwPDB validaton report |
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Full document | 3u3w_full_validation.pdf.gz | 456.4 KB | Display | |
Data in XML | 3u3w_validation.xml.gz | 25.5 KB | Display | |
Data in CIF | 3u3w_validation.cif.gz | 36.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u3/3u3w ftp://data.pdbj.org/pub/pdb/validation_reports/u3/3u3w | HTTPS FTP |
-Related structure data
Related structure data | 4fscC 2qfcS 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
-DNA chain , 2 types, 2 molecules YZ
#3: DNA chain | Mass: 5464.577 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: PlcR box from the 1-phosphatidylinositol phosphodiesterase promoter plcA |
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#4: DNA chain | Mass: 5562.653 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: PlcR box from the 1-phosphatidylinositol phosphodiesterase promoter plcA |
-Protein / Protein/peptide , 2 types, 4 molecules ABPQ
#1: Protein | Mass: 35061.285 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus thuringiensis (bacteria) / Strain: Bt407 / Gene: plcR / Plasmid: pET16.28 / Production host: Escherichia coli (E. coli) / Strain (production host): C41(DE3) / References: UniProt: Q45782 #2: Protein/peptide | Mass: 837.915 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Bacillus cereus (bacteria) / References: UniProt: B7IR02 |
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-Non-polymers , 2 types, 257 molecules
#5: Chemical | #6: 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: 3.06 Å3/Da / Density % sol: 59.78 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.16M Calcium Acetate, 0.08M Sodium Cacodylate, 8% PEG8000, 5% Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.97932 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Aug 29, 2011 / Details: cylindrical grazing incidence mirror | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: liquid nitrogen cooled channel-cut silicon (Si) monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97932 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.4→80.204 Å / Num. all: 39190 / Num. obs: 38014 / % possible obs: 97 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -1 / Redundancy: 2.7 % / Biso Wilson estimate: 45.4 Å2 / Rmerge(I) obs: 0.095 / Rsym value: 0.095 / Net I/σ(I): 7.2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2QFC Resolution: 2.4→53.192 Å / SU ML: 0.35 / σ(F): 0 / Phase error: 23.77 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.72 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 42.687 Å2 / ksol: 0.365 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 47.6077 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→53.192 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION
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