+Open data
-Basic information
Entry | Database: PDB / ID: 4hnq | ||||||
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Title | Crystal Structure of the mutant Q97A of Vibrio cholerae CheY3 | ||||||
Components | Chemotaxis protein CheY | ||||||
Keywords | SIGNALING PROTEIN / Rossmann fold / response regulator / kinase / mutation | ||||||
Function / homology | Function and homology information archaeal or bacterial-type flagellum-dependent cell motility / phosphorelay signal transduction system / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Vibrio cholerae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Biswas, M. / Sen, U. / Dasgupta, J. | ||||||
Citation | Journal: Plos One / Year: 2013 Title: Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae. Authors: Biswas, M. / Dey, S. / Khamrui, S. / Sen, U. / Dasgupta, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4hnq.cif.gz | 39.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4hnq.ent.gz | 26 KB | Display | PDB format |
PDBx/mmJSON format | 4hnq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4hnq_validation.pdf.gz | 430.2 KB | Display | wwPDB validaton report |
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Full document | 4hnq_full_validation.pdf.gz | 431.7 KB | Display | |
Data in XML | 4hnq_validation.xml.gz | 8 KB | Display | |
Data in CIF | 4hnq_validation.cif.gz | 10.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hn/4hnq ftp://data.pdbj.org/pub/pdb/validation_reports/hn/4hnq | HTTPS FTP |
-Related structure data
Related structure data | 3to5SC 4h60C 4hnrC 4hnsC 4jp1C 4lx8C 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: 13953.236 Da / Num. of mol.: 1 / Mutation: Q97A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae (bacteria) / Gene: VC_2065 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9KQD5, UniProt: Q6BBK8*PLUS |
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#2: Chemical | ChemComp-MG / |
#3: 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: 2.36 Å3/Da / Density % sol: 47.96 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 1.6 M ammonium sulfate, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Feb 17, 2012 |
Radiation | Monochromator: Ni filter / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.4→23.07 Å / Num. all: 4840 / Num. obs: 4141 / % possible obs: 85.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 45.7 Å2 |
Reflection shell | Highest resolution: 2.4 Å |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3TO5 Resolution: 2.4→23.07 Å / Rfactor Rfree error: 0.016 / Data cutoff high absF: 1153564.75 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 71.5598 Å2 / ksol: 0.4 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 43.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.4→23.07 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.55 Å / Rfactor Rfree error: 0.053 / Total num. of bins used: 6
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Xplor file |
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