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- PDB-6zc6: Small-molecule inhibitors of the PDZ domain of Dishevelled protei... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6zc6 | ||||||
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Title | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | ||||||
![]() | Segment polarity protein dishevelled homolog DVL-3 | ||||||
![]() | PEPTIDE BINDING PROTEIN / PDZ / DVL / Inhibitors / Wnt / ![]() | ||||||
Function / homology | ![]() Negative regulation of TCF-dependent signaling by DVL-interacting proteins / planar cell polarity pathway involved in neural tube closure / non-canonical Wnt signaling pathway / positive regulation of neuron projection arborization / WNT5:FZD7-mediated leishmania damping / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Roske, Y. / Heinemann, U. / Oschkinat, H. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling Authors: Roske, Y. / Heinemann, U. / Oschkinat, H. / Kamdem, N. / Kovalskyy, D. / Platonov, M.O. / Balinskyi, O.M. / Kreuchwig, A. / Saupe, J. / Fang, L. / Diehl, A. / Schmieder, P. / Krause, G. / ...Authors: Roske, Y. / Heinemann, U. / Oschkinat, H. / Kamdem, N. / Kovalskyy, D. / Platonov, M.O. / Balinskyi, O.M. / Kreuchwig, A. / Saupe, J. / Fang, L. / Diehl, A. / Schmieder, P. / Krause, G. / Rademann, J. / Birchmeier, W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.2 KB | Display | ![]() |
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PDB format | ![]() | 40.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6zbqC ![]() 6zbzC ![]() 6zc3C ![]() 6zc4C ![]() 6zc7C ![]() 6zc8C ![]() 2f0aS 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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 10199.681 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | #3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.95 Å3/Da / Density % sol: 58.26 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 1 M ammonium sulphate, 1% PEG 3350, 0.1 M Bis-Tris pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 26, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.58→32.04 Å / Num. obs: 16954 / % possible obs: 99.5 % / Redundancy: 7.1 % / Rrim(I) all: 0.0064 / Net I/σ(I): 18.1 |
Reflection shell | Resolution: 1.58→1.62 Å / Mean I/σ(I) obs: 2.9 / Num. unique obs: 1229 / Rrim(I) all: 0.069 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 2F0A Resolution: 1.58→32.04 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.956 / SU B: 3.628 / SU ML: 0.055 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.085 / ESU R Free: 0.073 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 67.91 Å2 / Biso mean: 22.926 Å2 / Biso min: 12.27 Å2
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Refinement step | Cycle: final / Resolution: 1.58→32.04 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.58→1.621 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 4.4442 Å / Origin y: 19.7734 Å / Origin z: -22.4614 Å
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