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- PDB-6zc4: 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: 6zc4 | ||||||
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Title | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | ||||||
![]() | Dishevelled, dsh homolog 3 (Drosophila), isoform CRA_b | ||||||
![]() | PEPTIDE BINDING PROTEIN / PDZ / DVL / Inhibitors / Wnt / signalling | ||||||
Function / homology | ![]() : / frizzled binding / canonical Wnt signaling pathway / intracellular signal transduction / cytosol 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 | ![]() | 89.1 KB | Display | ![]() |
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PDB format | ![]() | 67.7 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 ![]() 6zc6C ![]() 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 10199.681 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.59 Å3/Da / Density % sol: 52.55 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 30% PEG 8000, 0.2 M ammonium sulphate, 0.1 M MES pH 6.5 |
-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 19, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91841 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→30.9 Å / Num. obs: 17796 / % possible obs: 99.8 % / Redundancy: 7.4 % / Rrim(I) all: 0.0058 / Net I/σ(I): 20.5 |
Reflection shell | Resolution: 1.85→1.9 Å / Mean I/σ(I) obs: 2.1 / Num. unique obs: 1282 / Rrim(I) all: 0.105 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2F0A Resolution: 1.85→30.9 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.939 / SU B: 7.975 / SU ML: 0.104 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.226 / ESU R Free: 0.127 / 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: 79.83 Å2 / Biso mean: 36.252 Å2 / Biso min: 19.96 Å2
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Refinement step | Cycle: final / Resolution: 1.85→30.9 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.898 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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