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- PDB-4zsu: Crystal structure of Brevundimonas diminuta phosphotriesterase mu... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4zsu | ||||||
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Title | Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG | ||||||
![]() | Parathion hydrolase | ||||||
![]() | HYDROLASE / Bacterial Proteins / Enzymes / Catalysis / Amidohydrolase / Chemical Warfare Agents / VX nerve agent / VR nerve agent | ||||||
Function / homology | ![]() aryldialkylphosphatase / aryldialkylphosphatase activity / catabolic process / zinc ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Mabanglo, M.F. / Raushel, F.M. | ||||||
![]() | ![]() Title: Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR. Authors: Bigley, A.N. / Mabanglo, M.F. / Harvey, S.P. / Raushel, F.M. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 268.2 KB | Display | ![]() |
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PDB format | ![]() | 216.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 441.9 KB | Display | ![]() |
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Full document | ![]() | 448.5 KB | Display | |
Data in XML | ![]() | 28.2 KB | Display | |
Data in CIF | ![]() | 40.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4zstC ![]() 1dpmS 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: 36536.664 Da / Num. of mol.: 2 / Fragment: residues 36-363 Mutation: I106C, F132V, H254Q, H257Y, A270V, L272M, I274N, S308L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-CO / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.93 Å3/Da / Density % sol: 36.43 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 100 mM sodium cacodylate pH 5.5-7.0, 0.2 M magnesium acetate, 15-30% PEG 8000 PH range: 5.5-7.0 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Nov 7, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection twin | Operator: h,-k,-h-l / Fraction: 0.31 |
Reflection | Resolution: 2→50 Å / Num. obs: 34657 / % possible obs: 95.8 % / Redundancy: 3.7 % / Net I/σ(I): 18.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1DPM Resolution: 2.011→29.573 Å / FOM work R set: 0.8459 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.18 / Stereochemistry target values: TWIN_LSQ_F
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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: 94.33 Å2 / Biso mean: 28.08 Å2 / Biso min: 18.13 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.011→29.573 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14
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Refinement TLS params. | Method: refined / Origin x: 48.1751 Å / Origin y: 1.1662 Å / Origin z: 20.8945 Å
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Refinement TLS group |
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