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Open data
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Basic information
Entry | Database: PDB / ID: 4btm | ||||||
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Title | TTBK1 in complex with inhibitor | ||||||
![]() | TAU-TUBULIN KINASE 1 | ||||||
![]() | TRANSFERASE / LIGAND COMPLEX / STRUCTURE-KINETICS RELATIONSHIP | ||||||
Function / homology | ![]() positive regulation of astrocyte activation / positive regulation of cyclin-dependent protein kinase activity / positive regulation of microglial cell activation / positive regulation of cysteine-type endopeptidase activity / microtubule associated complex / positive regulation of protein polymerization / tau-protein kinase activity / substantia nigra development / negative regulation of protein binding / peptidyl-threonine phosphorylation ...positive regulation of astrocyte activation / positive regulation of cyclin-dependent protein kinase activity / positive regulation of microglial cell activation / positive regulation of cysteine-type endopeptidase activity / microtubule associated complex / positive regulation of protein polymerization / tau-protein kinase activity / substantia nigra development / negative regulation of protein binding / peptidyl-threonine phosphorylation / tau protein binding / peptidyl-tyrosine phosphorylation / peptidyl-serine phosphorylation / protein tyrosine kinase activity / learning or memory / non-specific serine/threonine protein kinase / protein phosphorylation / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / neuronal cell body / positive regulation of gene expression / perinuclear region of cytoplasm / signal transduction / nucleoplasm / ATP binding / nucleus / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Xue, Y. / Wan, P. / Hillertz, P. / Schweikart, F. / Zhao, Y. / Wissler, L. / Dekker, N. | ||||||
![]() | ![]() Title: X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Authors: Xue, Y. / Wan, P.T. / Hillertz, P. / Schweikart, F. / Zhao, Y. / Wissler, L. / Dekker, N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 142.2 KB | Display | ![]() |
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PDB format | ![]() | 110.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 26.9 KB | Display | |
Data in CIF | ![]() | 38.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4btjC ![]() 4btkC ![]() 1ckiS ![]() 1lhxS ![]() 2cmwS ![]() 2izuS ![]() 2v62S ![]() 3ggfS ![]() 3op5S 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 38746.543 Da / Num. of mol.: 2 / Fragment: KINASE DOMAIN, RESIDUES 1-313 Source method: isolated from a genetically manipulated source Details: KINASE DOMAIN / Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q5TCY1, non-specific serine/threonine protein kinase, tau-protein kinase |
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-Non-polymers , 5 types, 367 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/F8E.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/F8E.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-SO4 / #3: Chemical | #4: Chemical | ChemComp-DMS / | #5: Chemical | ChemComp-GOL / | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.93 Å3/Da / Density % sol: 78.8 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 2.54→43.29 Å / Num. obs: 48993 / % possible obs: 98.9 % / Observed criterion σ(I): 1 / Redundancy: 3.5 % / Biso Wilson estimate: 68.15 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 15.1 |
Reflection shell | Resolution: 2.54→2.61 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.78 / Mean I/σ(I) obs: 1.8 / % possible all: 99.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1CKI, 1LHX, 2CMW, 2IZU, 2V62, 3GGF, 3OP5 Resolution: 2.54→43.29 Å / Cor.coef. Fo:Fc: 0.9467 / Cor.coef. Fo:Fc free: 0.926 / SU R Cruickshank DPI: 0.193 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.195 / SU Rfree Blow DPI: 0.172 / SU Rfree Cruickshank DPI: 0.173 Details: IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS HAVE CCP4 ATOM TYPE FROM LIBRARY
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Displacement parameters | Biso mean: 56.93 Å2
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Refine analyze | Luzzati coordinate error obs: 0.286 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.54→43.29 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.54→2.61 Å / Total num. of bins used: 20
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