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- PDB-8sfc: Crystal structure of the engineered SsoPox variant IVA4 in altern... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8sfc | ||||||||||||||||||
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Title | Crystal structure of the engineered SsoPox variant IVA4 in alternate state | ||||||||||||||||||
![]() | 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 | ![]() | 80.9 KB | Display | ![]() |
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PDB format | ![]() | 58.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 439.4 KB | Display | ![]() |
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Full document | ![]() | 442.9 KB | Display | |
Data in XML | ![]() | 15 KB | Display | |
Data in CIF | ![]() | 21.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8sf2C ![]() 8sf9C ![]() 8sfaC ![]() 8sfbC ![]() 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
#1: Protein | Mass: 35511.785 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 35092 / DSM 1617 / JCM 11322 / P2 / Gene: php, SSO2522 / Variant: IVA4 Production host: ![]() ![]() References: UniProt: Q97VT7, aryldialkylphosphatase |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-CO / |
#4: Chemical | ChemComp-GOL / |
#5: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.72 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / 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: Jul 25, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.774901 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→68.56 Å / Num. obs: 124395 / % possible obs: 98.9 % / Redundancy: 3.36 % / CC1/2: 0.999 / Rrim(I) all: 0.044 / Net I/σ(I): 15.22 |
Reflection shell | Resolution: 1.4→1.5 Å / Rmerge(I) obs: 0.682 / Num. unique obs: 23305 / CC1/2: 0.83 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→37.48 Å
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Refine LS restraints |
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LS refinement shell |
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