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Yorodumi- PDB-3o1i: Crystal Structure of the TorS sensor domain - TorT complex in the... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3o1i | ||||||
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Title | Crystal Structure of the TorS sensor domain - TorT complex in the absence of ligand | ||||||
Components |
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Keywords | SIGNALING PROTEIN / Ligand free / Two component sensor / Periplasmic binding protein / TMAO | ||||||
Function / homology | Function and homology information cellular hyperosmotic response / histidine kinase / phosphoprotein phosphatase activity / phosphorelay sensor kinase activity / identical protein binding / plasma membrane Similarity search - Function | ||||||
Biological species | Vibrio parahaemolyticus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å | ||||||
Authors | Moore, J.O. / Hendrickson, W.A. | ||||||
Citation | Journal: Structure / Year: 2012 Title: An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO. Authors: Moore, J.O. / Hendrickson, W.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3o1i.cif.gz | 233.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3o1i.ent.gz | 188 KB | Display | PDB format |
PDBx/mmJSON format | 3o1i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3o1i_validation.pdf.gz | 699.3 KB | Display | wwPDB validaton report |
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Full document | 3o1i_full_validation.pdf.gz | 746.4 KB | Display | |
Data in XML | 3o1i_validation.xml.gz | 46.6 KB | Display | |
Data in CIF | 3o1i_validation.cif.gz | 63.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o1/3o1i ftp://data.pdbj.org/pub/pdb/validation_reports/o1/3o1i | HTTPS FTP |
-Related 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: 31701.875 Da / Num. of mol.: 2 / Fragment: Sensor Domain (UNP residues 51-323) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio parahaemolyticus (bacteria) / Strain: EB10 / Gene: TorS, VPA0675 / Plasmid: pRSFDuet-t / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 DE3 / References: UniProt: Q87ID1, histidine kinase #2: Protein | Mass: 33887.172 Da / Num. of mol.: 2 / Fragment: UNP residues 31-329 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio parahaemolyticus (bacteria) / Strain: EB10 / Gene: TorT, VPA0674 / Plasmid: pETDuet-t / Production host: Escherichia coli (E. coli) / Strain (production host): OrigamiB DE3 pLysS / References: UniProt: Q87ID2 #3: Chemical | ChemComp-PE4 / | #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: 3.25 Å3/Da / Density % sol: 62.13 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 1-4% PEG 400, 1.0-1.7M AmSO4, 100mM Tris pH8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X4C / Wavelength: 0.98009 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jun 1, 2007 / Details: slits and mirrors |
Radiation | Monochromator: horizontally deflecting and focusing crystal preceded by a vertically focusing mirror. Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98009 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→50 Å / Num. all: 42656 / Num. obs: 42602 / % possible obs: 99.9 % / Redundancy: 6.5 % / Biso Wilson estimate: 45.3 Å2 / Rmerge(I) obs: 0.141 / Rsym value: 0.128 / Net I/σ(I): 11.9 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.455 / Rsym value: 0.421 / % possible all: 9.8 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: Isopropanol bound structure Resolution: 2.8→19.93 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 2050435.46 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 48.941 Å2 / ksol: 0.35 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 65.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.8→19.93 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: NONE | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.8→2.97 Å / Rfactor Rfree error: 0.02 / Total num. of bins used: 6
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Xplor file |
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