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Open data
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Basic information
Entry | Database: PDB / ID: 8sf2 | ||||||||||||||||||
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Title | Crystal structure of the engineered SsoPox variant IG7 | ||||||||||||||||||
![]() | Aryldialkylphosphatase | ||||||||||||||||||
![]() | HYDROLASE / Lactonase / quorum sensing / phosphotriesterase / arylesterase | ||||||||||||||||||
Function / homology | ![]() aryldialkylphosphatase / aryldialkylphosphatase activity / catabolic process / zinc ion binding Similarity search - Function | ||||||||||||||||||
Biological species | ![]() ![]() | ||||||||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||||||||
![]() | Jacquet, P. / Billot, R. / Shimon, A. / Hoekstra, N. / Bergonzi, C. / Jenks, A. / Daude, D. / Elias, M.H. | ||||||||||||||||||
Funding support | ![]() ![]()
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![]() | ![]() Title: Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase Authors: Jacquet, P. / Billot, R. / Shimon, A. / Hoekstra, N. / Bergonzi, C. / Jenks, A. / Chabriere, E. / Daude, D. / Elias, M.H. | ||||||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 161.9 KB | Display | ![]() |
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PDB format | ![]() | 126.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 450.7 KB | Display | ![]() |
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Full document | ![]() | 454.4 KB | Display | |
Data in XML | ![]() | 17.3 KB | Display | |
Data in CIF | ![]() | 25.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8sf9C ![]() 8sfaC ![]() 8sfbC ![]() 8sfcC ![]() 8sfdC ![]() 8sfkC ![]() 8sfmC 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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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules D
#1: Protein | Mass: 35575.762 Da / Num. of mol.: 1 / Mutation: V27G,R154K,I280T Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 35092 / DSM 1617 / JCM 11322 / P2 / Gene: php, SSO2522 / Variant: IG7 Production host: ![]() ![]() References: UniProt: Q97VT7, aryldialkylphosphatase |
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-Non-polymers , 5 types, 307 molecules ![](data/chem/img/FE.gif)
![](data/chem/img/CO.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CO.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-FE / |
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#3: Chemical | ChemComp-CO / |
#4: Chemical | ChemComp-PO4 / |
#5: Chemical | ChemComp-GOL / |
#6: Water | ChemComp-HOH / |
-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.87 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 25% (w/v) PEG 8000 and Tris-HCl buffer (pH 8.5) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 30, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.96802 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→49.26 Å / Num. obs: 53878 / % possible obs: 99.4 % / Redundancy: 5.63 % / CC1/2: 1 / Net I/σ(I): 26.7 |
Reflection shell | Resolution: 1.5→1.6 Å / Num. unique obs: 9360 / CC1/2: 0.977 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 23.939 Å2
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Refinement step | Cycle: 1 / Resolution: 1.5→49.26 Å
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Refine LS restraints |
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