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- PDB-8e5r: Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 C... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8e5r | ||||||
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Title | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 Complex | ||||||
![]() | Sulfotransferase oxamniquine resistance protein | ||||||
![]() | TRANSFERASE / SULFOTRANSFERASE / PARASITE / DRUG RESISTANCE | ||||||
Function / homology | Sulfotransferase, S. mansonii-type / Sulfotransferase domain / transferase activity / P-loop containing nucleoside triphosphate hydrolase / ADENOSINE-3'-5'-DIPHOSPHATE / Chem-ULX / Sulfotransferase oxamniquine resistance protein![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Taylor, A.B. / Alwan, S.N. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis. Authors: Alwan, S.N. / Taylor, A.B. / Rhodes, J. / Tidwell, M. / McHardy, S.F. / LoVerde, P.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 139.6 KB | Display | ![]() |
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PDB format | ![]() | 98.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8e5qC ![]() 6bdrS 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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 30080.547 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-ULX / [ |
#3: Chemical | ChemComp-A3P / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 50.98 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop Details: MCSG-3 condition A1: 20% PEG 8000, 0.1 M HEPES:NaOH pH 7.5 |
-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: Sep 23, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→140.89 Å / Num. obs: 59038 / % possible obs: 97.6 % / Redundancy: 6 % / Biso Wilson estimate: 23.74 Å2 / CC1/2: 0.999 / Rpim(I) all: 0.022 / Net I/σ(I): 13.3 |
Reflection shell | Resolution: 1.4→1.48 Å / Redundancy: 6.2 % / Mean I/σ(I) obs: 1 / Num. unique obs: 8718 / CC1/2: 0.515 / Rpim(I) all: 0.817 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6BDR Resolution: 1.4→53.84 Å / SU ML: 0.1726 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.9043 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.47 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→53.84 Å
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Refine LS restraints |
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LS refinement shell |
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