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Open data
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Basic information
Entry | Database: PDB / ID: 6fyv | ||||||
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Title | X-RAY STRUCTURE OF CLK4-KD(146-480)/CX-4945 AT 2.46A | ||||||
![]() | Dual specificity protein kinase CLK4 | ||||||
![]() | TRANSFERASE / SPLICING / KINASE / PHOSPHOTRANSFERASE | ||||||
Function / homology | ![]() protein serine/threonine kinase activity => GO:0004674 / dual-specificity kinase / regulation of RNA splicing / protein serine/threonine/tyrosine kinase activity / transmembrane receptor protein tyrosine kinase activity / protein autophosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / ATP binding / nucleus Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Kallen, J. | ||||||
![]() | ![]() Title: X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. Authors: Kallen, J. / Bergsdorf, C. / Arnaud, B. / Bernhard, M. / Brichet, M. / Cobos-Correa, A. / Elhajouji, A. / Freuler, F. / Galimberti, I. / Guibourdenche, C. / Haenni, S. / Holzinger, S. / ...Authors: Kallen, J. / Bergsdorf, C. / Arnaud, B. / Bernhard, M. / Brichet, M. / Cobos-Correa, A. / Elhajouji, A. / Freuler, F. / Galimberti, I. / Guibourdenche, C. / Haenni, S. / Holzinger, S. / Hunziker, J. / Izaac, A. / Kaufmann, M. / Leder, L. / Martus, H.J. / von Matt, P. / Polyakov, V. / Roethlisberger, P. / Roma, G. / Stiefl, N. / Uteng, M. / Lerchner, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 86.6 KB | Display | ![]() |
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PDB format | ![]() | 63.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 749.2 KB | Display | ![]() |
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Full document | ![]() | 750.6 KB | Display | |
Data in XML | ![]() | 14.9 KB | Display | |
Data in CIF | ![]() | 20.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6fyiC ![]() 6fykC ![]() 6fylSC ![]() 6fyoC ![]() 6fypC ![]() 6fyrC C: citing same article ( S: Starting model for refinement |
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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
#1: Protein | Mass: 39691.496 Da / Num. of mol.: 1 / Fragment: kinase domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-3NG / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.64 Å3/Da / Density % sol: 53.45 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 30% Pentaerythritol ethoxylate (15/4 EO/OH),0.05M Ammonium Sulfate, 0.05M TRIS |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 5, 2016 |
Radiation | Monochromator: SI 111 channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.46→19.36 Å / Num. obs: 16267 / % possible obs: 99.6 % / Redundancy: 12.9 % / Biso Wilson estimate: 55.7 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.084 / Rrim(I) all: 0.087 / Net I/σ(I): 23.9 |
Reflection shell | Resolution: 2.46→2.52 Å / Redundancy: 13.3 % / Rmerge(I) obs: 0.889 / Mean I/σ(I) obs: 3.4 / CC1/2: 0.895 / Rrim(I) all: 0.924 / % possible all: 100 |
-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6FYL Resolution: 2.46→19.36 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.952 / SU B: 7.581 / SU ML: 0.171 / SU R Cruickshank DPI: 0.4361 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.436 / ESU R Free: 0.242 Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | |||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 144.38 Å2 / Biso mean: 59.556 Å2 / Biso min: 29.36 Å2
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Refinement step | Cycle: final / Resolution: 2.46→19.36 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.46→2.523 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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