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- PDB-5w3z: Crystal structure of SsoPox AsC6 mutant (L72I-Y99F-I122L-L228M-F2... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5w3z | |||||||||
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Title | Crystal structure of SsoPox AsC6 mutant (L72I-Y99F-I122L-L228M-F229S-W263L) | |||||||||
![]() | Aryldialkylphosphatase | |||||||||
![]() | HYDROLASE / lactonase / phosphotriesterase / mutants / quorum sensing / organophosphate / organophosphorous / insecticides. | |||||||||
Function / homology | ![]() aryldialkylphosphatase / aryldialkylphosphatase activity / catabolic process / zinc ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Hiblot, J. / Gotthard, G. / Jacquet, P. / Daude, D. / Bergonzi, C. / Chabriere, E. / Elias, M. | |||||||||
![]() | ![]() Title: Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Authors: Jacquet, P. / Hiblot, J. / Daude, D. / Bergonzi, C. / Gotthard, G. / Armstrong, N. / Chabriere, E. / Elias, M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 495.1 KB | Display | ![]() |
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PDB format | ![]() | 415 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 496.8 KB | Display | ![]() |
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Full document | ![]() | 526.3 KB | Display | |
Data in XML | ![]() | 48.4 KB | Display | |
Data in CIF | ![]() | 65.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5vriC ![]() 5vrkC ![]() 5vsaC ![]() 5w3uC ![]() 5w3wC ![]() 2vc5S 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, 4 molecules ABCD
#1: Protein | Mass: 35526.797 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 172 molecules ![](data/chem/img/FE2.gif)
![](data/chem/img/CO.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CO.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-FE2 / #3: Chemical | ChemComp-CO / #4: Chemical | ChemComp-EDO / #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: 2.35 Å3/Da / Density % sol: 47.74 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 20-30 % (w/v) PEG 8000 and 50 mM Tris-HCl buffer (pH 8) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 7, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.00882 Å / Relative weight: 1 |
Reflection | Resolution: 2.55→46.313 Å / Num. obs: 43204 / % possible obs: 97.3 % / Redundancy: 4.49 % / Net I/σ(I): 15.68 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2vc5 Resolution: 2.55→46.31 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.928 / SU B: 35.814 / SU ML: 0.32 / Cross valid method: THROUGHOUT / ESU R: 1.157 / ESU R Free: 0.322 / 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: 76.742 Å2
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Refinement step | Cycle: 1 / Resolution: 2.55→46.31 Å
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Refine LS restraints |
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