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- PDB-4zeg: Crystal structure of TTK kinase domain in complex with a pyrazolo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4zeg | ||||||
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Title | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | ||||||
![]() | Dual specificity protein kinase TTK | ||||||
![]() | Transferase/Transferase Inhibitor / ![]() ![]() | ||||||
Function / homology | ![]() protein localization to meiotic spindle midzone / meiotic spindle assembly checkpoint signaling / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Qiu, W. / Plotnikova, O. / Feher, M. / Awrey, D.E. / Battaile, K. / Chirgadze, N.Y. | ||||||
![]() | ![]() Title: Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor. Authors: Qiu, W. / Plotnikova, O. / Feher, M. / Awrey, D.E. / Battaile, K. / Chirgadze, N.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 70.4 KB | Display | ![]() |
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PDB format | ![]() | 51.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 32459.303 Da / Num. of mol.: 1 / Fragment: UNP residues 515-795 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 31 molecules ![](data/chem/img/GOL.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/052.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/052.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-GOL / ![]() | ||||
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#3: Chemical | ChemComp-PEG / ![]() | ||||
#4: Chemical | ChemComp-EDO / ![]() #5: Chemical | ChemComp-052 / | #6: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.23 Å3/Da / Density % sol: 61.94 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.5 / Details: 0.2 M MgCl2, 0.1M Tris pH 8.5, 25% PEG 3500 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 9, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.3→60 Å / Num. obs: 18900 / % possible obs: 98.9 % / Redundancy: 6.35 % / Rmerge(I) obs: 0.0377 / Net I/σ(I): 22.37 |
Reflection shell | Resolution: 2.3→2.4 Å / Redundancy: 6 % / Rmerge(I) obs: 0.4464 / Mean I/σ(I) obs: 2.64 / % possible all: 95.6 |
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Processing
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Refinement | Resolution: 2.33→59.53 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.92 / SU B: 7.693 / SU ML: 0.183 / Cross valid method: THROUGHOUT / ESU R: 0.254 / ESU R Free: 0.223 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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 mean: 66.242 Å2
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Refinement step | Cycle: LAST / Resolution: 2.33→59.53 Å
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