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Open data
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Basic information
Entry | Database: PDB / ID: 7bcf | ||||||
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Title | Notum Fragment 722 | ||||||
![]() | Palmitoleoyl-protein carboxylesterase NOTUM | ||||||
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Function / homology | ![]() [Wnt protein] O-palmitoleoyl-L-serine hydrolase / protein depalmitoleylation / palmitoleyl hydrolase activity / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhao, Y. / Jones, E.Y. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Analysis and Development of Notum Fragment Screening Hits. Authors: Zhao, Y. / Mahy, W. / Willis, N.J. / Woodward, H.L. / Steadman, D. / Bayle, E.D. / Atkinson, B.N. / Sipthorp, J. / Vecchia, L. / Ruza, R.R. / Harlos, K. / Jeganathan, F. / Constantinou, S. / ...Authors: Zhao, Y. / Mahy, W. / Willis, N.J. / Woodward, H.L. / Steadman, D. / Bayle, E.D. / Atkinson, B.N. / Sipthorp, J. / Vecchia, L. / Ruza, R.R. / Harlos, K. / Jeganathan, F. / Constantinou, S. / Costa, A. / Kjaer, S. / Bictash, M. / Salinas, P.C. / Whiting, P. / Vincent, J.P. / Fish, P.V. / Jones, E.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 | ![]() | 154.8 KB | Display | ![]() |
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PDB format | ![]() | 118.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7b4xC ![]() 7b84C ![]() 7b86C ![]() 7b87C ![]() 7b89C ![]() 7b8cC ![]() 7b8dC ![]() 7b8fC ![]() 7b8gC ![]() 7b8jC ![]() 7b8kC ![]() 7b8lC ![]() 7b8mC ![]() 7b8nC ![]() 7b8oC ![]() 7b8uC ![]() 7b8xC ![]() 7b8yC ![]() 7b8zC ![]() 7b98C ![]() 7b99C ![]() 7b9dC ![]() 7b9iC ![]() 7b9nC ![]() 7b9uC ![]() 7ba1C ![]() 7bacC ![]() 7bapC ![]() 7bc8C ![]() 7bc9C ![]() 7bccC ![]() 7bcdC ![]() 7bchC ![]() 7bciC ![]() 7bckC ![]() 7bclC ![]() 7bd2C ![]() 7bd3C ![]() 7bd4C ![]() 7bd5C ![]() 7bd6C ![]() 7bd8C ![]() 7bd9C ![]() 7bdaC ![]() 7bdbC ![]() 7bdcC ![]() 7bddC ![]() 7bdfC ![]() 7bdgC ![]() 7bdhC ![]() 4uzqS 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: 43567.148 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q6P988, [Wnt protein] O-palmitoleoyl-L-serine hydrolase | ||||||||
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#2: Chemical | ChemComp-SO4 / ![]() #3: Sugar | ChemComp-NAG / | ![]() #4: Chemical | ChemComp-T9W / | #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 38.75 % |
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Crystal grow![]() | Temperature: 296 K / Method: vapor diffusion, sitting drop Details: 1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH4.2 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 2, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.86→72.44 Å / Num. obs: 30195 / % possible obs: 100 % / Redundancy: 6.3 % / CC1/2: 1 / Net I/σ(I): 10.6 |
Reflection shell | Resolution: 1.86→1.89 Å / Num. unique obs: 1477 / CC1/2: 0.64 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4UZQ Resolution: 1.86→53.57 Å / SU ML: 0.24 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 28.46 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 94.44 Å2 / Biso mean: 29.693 Å2 / Biso min: 14.68 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.86→53.57 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 11
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Refinement TLS params. | Method: refined / Origin x: 5.014 Å / Origin y: -0.885 Å / Origin z: -2.244 Å
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Refinement TLS group |
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