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- PDB-7zjq: Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyrid... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7zjq | ||||||
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Title | Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid | ||||||
![]() | (Transcriptional enhancer factor TEF-5) x 2 | ||||||
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Function / homology | ![]() asymmetric neuroblast division / RUNX3 regulates YAP1-mediated transcription / YAP1- and WWTR1 (TAZ)-stimulated gene expression / hippo signaling / embryonic organ development / female pregnancy / RNA polymerase II-specific DNA-binding transcription factor binding / ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Musil, D. / Sousa, C.M. | ||||||
Funding support | 1items
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![]() | ![]() Title: Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . Authors: Heinrich, T. / Peterson, C. / Schneider, R. / Garg, S. / Schwarz, D. / Gunera, J. / Seshire, A. / Kotzner, L. / Schlesiger, S. / Musil, D. / Schilke, H. / Doerfel, B. / Diehl, P. / Bopple, P. ...Authors: Heinrich, T. / Peterson, C. / Schneider, R. / Garg, S. / Schwarz, D. / Gunera, J. / Seshire, A. / Kotzner, L. / Schlesiger, S. / Musil, D. / Schilke, H. / Doerfel, B. / Diehl, P. / Bopple, P. / Lemos, A.R. / Sousa, P.M.F. / Freire, F. / Bandeiras, T.M. / Carswell, E. / Pearson, N. / Sirohi, S. / Hooker, M. / Trivier, E. / Broome, R. / Balsiger, A. / Crowden, A. / Dillon, C. / Wienke, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 356.1 KB | Display | ![]() |
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PDB format | ![]() | 292.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7zjpC ![]() 5emwS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 25324.789 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Protein | Mass: 25308.789 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #3: Chemical | ChemComp-JIK / #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.04 Å3/Da / Density % sol: 59.47 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 100 mM Sodium Acetate, 100 mM Calcium acetate,, 10% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Nov 12, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.095→47.771 Å / Num. obs: 72638 / % possible obs: 99.2 % / Redundancy: 6.7 % / CC1/2: 1 / Rrim(I) all: 0.095 / Net I/σ(I): 13.6 |
Reflection shell | Resolution: 2.095→2.22 Å / Num. unique obs: 11388 / CC1/2: 0.04 / % possible all: 97.6 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 5EMW Resolution: 2.095→47.77 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.917 / SU R Cruickshank DPI: 0.226 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.22 / SU Rfree Blow DPI: 0.185 / SU Rfree Cruickshank DPI: 0.19
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Displacement parameters | Biso max: 243.9 Å2 / Biso mean: 92.75 Å2 / Biso min: 49.53 Å2
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Refine analyze | Luzzati coordinate error obs: 0.89 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.095→47.77 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.12 Å / Rfactor Rfree error: 0 / Total num. of bins used: 51
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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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