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Yorodumi- PDB-4jpb: The structure of a ternary complex between CheA domains P4 and P5... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4jpb | ||||||
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Title | The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima. | ||||||
Components |
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Keywords | IMMUNE SYSTEM / Ternary complex / Transmembrane Signaling Two component system Receptor / Histidine Kinase Adaptor protein / Membrane | ||||||
Function / homology | Function and homology information histidine kinase / phosphorelay sensor kinase activity / chemotaxis / lysozyme activity / protein domain specific binding / signal transduction / ATP binding / membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Thermotoga maritima (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.186 Å | ||||||
Authors | Li, X. / Bayas, C. / Bilwes, A.M. / Crane, B.R. | ||||||
Citation | Journal: Biochemistry / Year: 2013 Title: The 3.2 angstrom resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays. Authors: Li, X. / Fleetwood, A.D. / Bayas, C. / Bilwes, A.M. / Ortega, D.R. / Falke, J.J. / Zhulin, I.B. / Crane, B.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4jpb.cif.gz | 101.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4jpb.ent.gz | 76.7 KB | Display | PDB format |
PDBx/mmJSON format | 4jpb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4jpb_validation.pdf.gz | 457.2 KB | Display | wwPDB validaton report |
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Full document | 4jpb_full_validation.pdf.gz | 466.9 KB | Display | |
Data in XML | 4jpb_validation.xml.gz | 17.2 KB | Display | |
Data in CIF | 4jpb_validation.cif.gz | 22.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jp/4jpb ftp://data.pdbj.org/pub/pdb/validation_reports/jp/4jpb | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | The receptor fragment is dimerized by crystal symmetry to produce a 4-helix bundle. The assembly state of the receptor kinase arrays is complex and extended, but the ring structure formed by the alternating CheA and CheW units built by the crystal symmetry of this structure are thought to be important features of the assembled system. |
-Components
#1: Protein | Mass: 35403.945 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima (bacteria) / Strain: ATCC 43589 / MSB8 / DSM 3109 / JCM 10099 / Gene: cheA, TM_0702 / Production host: Escherichia coli (E. coli) / Strain (production host): E. coli BL-21 (RIL DE3) / References: UniProt: Q56310, histidine kinase |
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#2: Protein | Mass: 16976.834 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima (bacteria) / Strain: ATCC 43589 / MSB8 / DSM 3109 / JCM 10099 / Gene: cheW, TM_0701 / Production host: Escherichia coli (E. coli) / Strain (production host): BL-21 (RIL DE3) / References: UniProt: Q56311 |
#3: Protein | Mass: 9976.237 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima (bacteria) / Strain: ATCC 43589 / MSB8 / DSM 3109 / JCM 10099 / Gene: ThemaDRAFT_1422, Tm00014, TM_0014 / Production host: Escherichia coli (E. coli) / Strain (production host): BL-21 (RIL DE3) / References: UniProt: Q7DFA3 |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 6.34 Å3/Da / Density % sol: 80.59 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: Cubic shaped crystals (50x50x50 um3) were grown from a mixture of 520 uM Tm14s, 457 uM CheA 354 and 121 uM CheW after 1 month by vapor diffusion from a 2 ul drop (1:1 mixture of protein and ...Details: Cubic shaped crystals (50x50x50 um3) were grown from a mixture of 520 uM Tm14s, 457 uM CheA 354 and 121 uM CheW after 1 month by vapor diffusion from a 2 ul drop (1:1 mixture of protein and reservoir: 500 ul reservoir of 0.2 M sodium acetate trihydrate, 0.1 M Tris (pH 8.5), 15% w/v polyethylene glycol 4,000), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.976 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Feb 17, 2012 / Details: Rh-coated Si mirrors |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.976 Å / Relative weight: 1 |
Reflection | Resolution: 3.186→46.2 Å / Num. all: 30645 / Num. obs: 30554 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 5.5 % / Biso Wilson estimate: 40.5 Å2 / Rmerge(I) obs: 0.105 / Net I/σ(I): 20.3 |
Reflection shell | Resolution: 3.2→3.3 Å / Rmerge(I) obs: 0.513 / Mean I/σ(I) obs: 1.4 / % possible all: 99.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.186→46.156 Å / SU ML: 0.38 / σ(F): 1.34 / σ(I): 0 / Phase error: 25.76 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati sigma a free: 0.58 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.186→46.156 Å
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Refine LS restraints |
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LS refinement shell |
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