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- PDB-7bjb: 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7bjb | ||||||
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Title | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 | ||||||
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![]() | PEPTIDE BINDING PROTEIN / ![]() ![]() | ||||||
Function / homology | ![]() acetaldehyde metabolic process / prolactin signaling pathway / DEx/H-box helicases activate type I IFN and inflammatory cytokines production / NF-kappaB p50/p65 complex / IkBA variant leads to EDA-ID / positive regulation of Schwann cell differentiation / cellular response to peptidoglycan / Regulated proteolysis of p75NTR / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wolter, M. / Ottmann, C. | ||||||
Funding support | European Union, 1items
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![]() | ![]() Title: An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. Authors: Wolter, M. / Valenti, D. / Cossar, P.J. / Hristeva, S. / Levy, L.M. / Genski, T. / Hoffmann, T. / Brunsveld, L. / Tzalis, D. / Ottmann, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.1 KB | Display | ![]() |
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PDB format | ![]() | 52.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7bi3C ![]() 7biqC ![]() 7biwC ![]() 7biyC ![]() 7bjfC ![]() 7bjlC ![]() 7bjwC ![]() 7bkhC ![]() 7nj9C ![]() 7njbC ![]() 7nk3C ![]() 7nk5C ![]() 7nlaC ![]() 7nleC ![]() 7nm1C ![]() 7nm3C ![]() 7nm9C ![]() 7nmhC ![]() 7nr7C ![]() 7nv4C ![]() 7nviC ![]() 7nwsC ![]() 7nxsC ![]() 7nxtC ![]() 7nxwC ![]() 7nxyC ![]() 7ny4C ![]() 7nyeC ![]() 7nyfC ![]() 7nygC ![]() 7nz6C ![]() 7nzgC ![]() 7nzkC ![]() 7nzvC ![]() 7o34C ![]() 7o3aC ![]() 7o3fC ![]() 7o3pC ![]() 7o3qC ![]() 7o3rC ![]() 7o3sC ![]() 7o57C ![]() 7o59C ![]() 7o5aC ![]() 7o5cC ![]() 7o5dC ![]() 7o5fC ![]() 7o5gC ![]() 7o5oC ![]() 7o5pC ![]() 7o5sC ![]() 7o5uC ![]() 7o5xC ![]() 7o6fC ![]() 7o6gC ![]() 7o6iC ![]() 7o6jC ![]() 7o6kC ![]() 7o6mC ![]() 7o6oC ![]() 6qhlS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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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
-Protein / Protein/peptide , 2 types, 2 molecules AP
#1: Protein | Mass: 28226.518 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 1412.429 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() |
-Non-polymers , 6 types, 321 molecules ![](data/chem/img/CL.gif)
![](data/chem/img/TZK.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/TZK.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-CL / ![]() | ||||
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#4: Chemical | ChemComp-TZK / | ||||
#5: Chemical | ChemComp-GOL / ![]() | ||||
#6: Chemical | #7: Chemical | ChemComp-MG / | #8: Water | ChemComp-HOH / | ![]() |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.44 Å3/Da / Density % sol: 49.66 % / Mosaicity: 0 ° |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.1 Details: 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: SEALED TUBE / Type: RIGAKU MICROMAX-003 / Wavelength: 1.54187 Å | ||||||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 200K / Detector: PIXEL / Date: Dec 19, 2018 | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength![]() | ||||||||||||||||||||||||||||||
Reflection | Resolution: 1.8→34.44 Å / Num. obs: 27297 / % possible obs: 99.9 % / Redundancy: 6.1 % / Biso Wilson estimate: 12.05 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.048 / Rpim(I) all: 0.021 / Rrim(I) all: 0.052 / Net I/σ(I): 25.9 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing![]() | Method: ![]() |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 6QHL Resolution: 1.8→34.44 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.52 / Phase error: 21.33 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 71.62 Å2 / Biso mean: 16.6513 Å2 / Biso min: 4.02 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.8→34.44 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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