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- PDB-8e5q: Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 C... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8e5q | ||||||
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Title | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 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-UMI / 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 | ![]() | 131.5 KB | Display | ![]() |
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PDB format | ![]() | 94.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8e5rC ![]() 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
#1: Protein | Mass: 29976.562 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-UMI / [ |
#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: 2.07 Å3/Da / Density % sol: 40.44 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop Details: Molecular Dimensions Morpheus condition 1-1: 30% Precipitant Mix 1 (30% PEG 500 MME; 20% PEG 20000), 0.06 M Divalents Mix (0.3 M magnesium chloride hexahydrate, 0.3 M calcium chloride ...Details: Molecular Dimensions Morpheus condition 1-1: 30% Precipitant Mix 1 (30% PEG 500 MME; 20% PEG 20000), 0.06 M Divalents Mix (0.3 M magnesium chloride hexahydrate, 0.3 M calcium chloride dihydrate), 0.1 M Buffer System 1 pH 6.5 (1.0 M imidazole:MES) |
-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: Aug 11, 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: 1.33→90.53 Å / Num. obs: 57572 / % possible obs: 99.6 % / Redundancy: 6.2 % / Biso Wilson estimate: 18.28 Å2 / CC1/2: 0.999 / Rpim(I) all: 0.025 / Net I/σ(I): 13.6 |
Reflection shell | Resolution: 1.33→1.4 Å / Redundancy: 6.3 % / Mean I/σ(I) obs: 1 / Num. unique obs: 8186 / CC1/2: 0.557 / Rpim(I) all: 0.785 / % possible all: 98.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6BDR Resolution: 1.33→49.13 Å / SU ML: 0.1692 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.8009 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: 33.36 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.33→49.13 Å
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Refine LS restraints |
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LS refinement shell |
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