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Open data
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Basic information
Entry | Database: PDB / ID: 7q8d | ||||||
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Title | Peptide TRESEDLE in complex with human cathepsin V C25A mutant | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Loboda, J. / Sosnowski, P. / Tusar, L. / Vidmar, R. / Vizovisek, M. / Horvat, J. / Kosec, G. / Impens, F. / Demol, H. / Turk, B. ...Loboda, J. / Sosnowski, P. / Tusar, L. / Vidmar, R. / Vizovisek, M. / Horvat, J. / Kosec, G. / Impens, F. / Demol, H. / Turk, B. / Gevaert, K. / Turk, D. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Authors: Tusar, L. / Loboda, J. / Impens, F. / Sosnowski, P. / Van Quickelberghe, E. / Vidmar, R. / Demol, H. / Sedeyn, K. / Saelens, X. / Vizovisek, M. / Mihelic, M. / Fonovic, M. / Horvat, J. / ...Authors: Tusar, L. / Loboda, J. / Impens, F. / Sosnowski, P. / Van Quickelberghe, E. / Vidmar, R. / Demol, H. / Sedeyn, K. / Saelens, X. / Vizovisek, M. / Mihelic, M. / Fonovic, M. / Horvat, J. / Kosec, G. / Turk, B. / Gevaert, K. / Turk, 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 | ![]() | 193.3 KB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7q8fC ![]() 7q8gC ![]() 7q8hC ![]() 7q8iC ![]() 7q8jC ![]() 7q8kC ![]() 7q8lC ![]() 7q8mC ![]() 7q8nC ![]() 7q8oC ![]() 7q8pC ![]() 7q8qC ![]() 7q9cC ![]() 7q9hC ![]() 7qffC ![]() 7qfhC ![]() 7qhjC ![]() 7qhkC ![]() 1fh0S 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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein / Protein/peptide , 2 types, 4 molecules AABAPAPB
#1: Protein | ![]() Mass: 24021.936 Da / Num. of mol.: 2 / Mutation: C25A, N179Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Protein/peptide | Mass: 1003.023 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Non-polymers , 4 types, 403 molecules ![](data/chem/img/MPD.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-MPD / ( ![]() #4: Chemical | ![]() #5: Chemical | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.85 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: 77 % MPD, 23 % of 60 mM Tris, pH 8 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Dec 22, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→50 Å / Num. obs: 52245 / % possible obs: 99.6 % / Redundancy: 13.7 % / CC1/2: 0.999 / Net I/σ(I): 18.53 |
Reflection shell | Resolution: 1.8→1.86 Å / Num. unique obs: 5035 / CC1/2: 0.647 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1FH0 Resolution: 1.8→41.96 Å / Cor.coef. Fo:Fc: 0.9001 / Cor.coef. Fo:Fc free: 0.868 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 18.7 / Stereochemistry target values: ML
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Solvent computation | Solvent model: MASK FLAT BULK SOLVENT MODEL / Bsol: 32.11 Å2 / ksol: 0.35 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso max: 193.81 Å2 / Biso mean: 34.05 Å2 / Biso min: 16.03 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→41.96 Å
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LS refinement shell | Resolution: 1.8→1.83 Å / Total num. of bins used: 20
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