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- PDB-7o6o: 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: 7o6o | ||||||
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Title | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 | ||||||
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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 | ![]() | 71.7 KB | Display | ![]() |
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PDB format | ![]() | 50.3 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 ![]() 7bjbC ![]() 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 ![]() 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: 26558.914 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 Details: the sequence follows an alternative sequencing (ID: CAA80524) Source: (synth.) ![]() ![]() |
-Non-polymers , 4 types, 263 molecules ![](data/chem/img/V3Z.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-V3Z / ( |
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#4: Chemical | ChemComp-CL / ![]() |
#5: Chemical | ChemComp-CA / |
#6: 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: 2.6 Å3/Da / Density % sol: 52.76 % / 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: ![]() ![]() ![]() | ||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: May 16, 2019 | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength![]() | ||||||||||||||||||||||||||||||
Reflection | Resolution: 1.4→41.87 Å / Num. obs: 57744 / % possible obs: 100 % / Redundancy: 13 % / Biso Wilson estimate: 17.9 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.1 / Rpim(I) all: 0.029 / Rrim(I) all: 0.104 / Net I/σ(I): 12.3 | ||||||||||||||||||||||||||||||
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: 1.4→41.87 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 21.05 / Stereochemistry target values: ML / Details: MOLECULAR REPLACEMENT
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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: 125.86 Å2 / Biso mean: 24.094 Å2 / Biso min: 13.04 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.4→41.87 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30 / % reflection obs: 100 %
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