+Open data
-Basic information
Entry | Database: PDB / ID: 5tiz | ||||||
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Title | Schistosoma japonicum (Blood Fluke) Sulfotransferase | ||||||
Components | Sulfotransferase | ||||||
Keywords | TRANSFERASE / SULFOTRANSFERASE / PARASITE / HELMINTH | ||||||
Function / homology | Sulfotransferase, S. mansonii-type / Sulfotransferase domain / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta / ADENOSINE-3'-5'-DIPHOSPHATE / Uncharacterized protein Function and homology information | ||||||
Biological species | Schistosoma japonicum (invertebrata) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.87 Å | ||||||
Authors | Taylor, A.B. / Hart, P.J. | ||||||
Citation | Journal: J. Biol. Chem. / Year: 2017 Title: Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy. Authors: Taylor, A.B. / Roberts, K.M. / Cao, X. / Clark, N.E. / Holloway, S.P. / Donati, E. / Polcaro, C.M. / Pica-Mattoccia, L. / Tarpley, R.S. / McHardy, S.F. / Cioli, D. / LoVerde, P.T. / ...Authors: Taylor, A.B. / Roberts, K.M. / Cao, X. / Clark, N.E. / Holloway, S.P. / Donati, E. / Polcaro, C.M. / Pica-Mattoccia, L. / Tarpley, R.S. / McHardy, S.F. / Cioli, D. / LoVerde, P.T. / Fitzpatrick, P.F. / Hart, P.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5tiz.cif.gz | 65.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5tiz.ent.gz | 46.5 KB | Display | PDB format |
PDBx/mmJSON format | 5tiz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5tiz_validation.pdf.gz | 778.1 KB | Display | wwPDB validaton report |
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Full document | 5tiz_full_validation.pdf.gz | 778.9 KB | Display | |
Data in XML | 5tiz_validation.xml.gz | 10.9 KB | Display | |
Data in CIF | 5tiz_validation.cif.gz | 13.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ti/5tiz ftp://data.pdbj.org/pub/pdb/validation_reports/ti/5tiz | HTTPS FTP |
-Related structure data
Related structure data | 5tivC 5tiwC 5tixC 5tiyC 4muaS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 30598.033 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Schistosoma japonicum (invertebrata) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 pLysS / References: UniProt: C1LER5 |
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#2: Chemical | ChemComp-A3P / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.48 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop Details: 20%(v/v) PEG 8000, 3%(v/v) MPD, 0.1M Imidazole/Hydrochloric acid pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 16, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 2.87→54.65 Å / Num. obs: 7110 / % possible obs: 96.9 % / Redundancy: 2.8 % / Biso Wilson estimate: 39 Å2 / Rsym value: 0.158 / Net I/σ(I): 7.7 |
Reflection shell | Resolution: 2.87→3.03 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.667 / Mean I/σ(I) obs: 2 / % possible all: 98.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4MUA Resolution: 2.87→54.648 Å / SU ML: 0.45 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 25.94
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.87→54.648 Å
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Refine LS restraints |
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LS refinement shell |
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