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- PDB-3bfx: Crystal structure of human sulfotransferase SULT1C1 in complex wi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3bfx | |||||||||
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Title | Crystal structure of human sulfotransferase SULT1C1 in complex with PAP | |||||||||
![]() | Sulfotransferase 1C2 | |||||||||
![]() | TRANSFERASE / SULFOTRANSFERASE / PAP / STRUCTURAL GENOMICS / PSI / PROTEIN STRUCTURE INITIATIVE / STRUCTURAL GENOMICS CONSORTIUM / SGC / Alternative splicing / Cytoplasm / Polymorphism | |||||||||
Function / homology | ![]() Transferases; Transferring sulfur-containing groups; Sulfotransferases / Cytosolic sulfonation of small molecules / 3'-phosphoadenosine 5'-phosphosulfate metabolic process / sulfation / sulfotransferase activity / amine metabolic process / cytoplasm / cytosol Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Dong, A. / Dombrovski, L. / Loppnau, P. / Edwards, A.M. / Arrowsmith, C.H. / Weigelt, J. / Sundstrom, M. / Bochkarev, A. / Plotnikov, A.N. / Structural Genomics Consortium (SGC) | |||||||||
![]() | ![]() Title: Crystal Structures of Human Sulfotransferases Sult1B1 and Sult1C1 Complexed with the Cofactor Product Adenosine-3'-5'-Diphosphate (Pap). Authors: Dombrovski, L. / Dong, A. / Bochkarev, A. / Plotnikov, A.N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 132.1 KB | Display | ![]() |
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PDB format | ![]() | 100.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 26.6 KB | Display | |
Data in CIF | ![]() | 39.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2z5fC ![]() 1xv1 S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 34854.875 Da / Num. of mol.: 2 / Mutation: C293S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: O00338, Transferases; Transferring sulfur-containing groups; Sulfotransferases #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 43.93 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion / pH: 6.5 Details: 1.0M Na Citrate, 0.1M Cacodylate, pH 6.5, VAPOR DIFFUSION, temperature 297K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jul 24, 2005 / Details: Si 111 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97972 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. all: 54077 / Num. obs: 54077 / % possible obs: 95.6 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 22.4 Å2 / Rmerge(I) obs: 0.042 / Rsym value: 0.042 / Net I/σ(I): 13.4 |
Reflection shell | Resolution: 1.8→1.83 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.205 / Mean I/σ(I) obs: 4 / Rsym value: 0.205 / % possible all: 70.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1XV1 ![]() 1xv1 Resolution: 1.8→50 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.932 / SU B: 2.702 / SU ML: 0.086 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.129 / ESU R Free: 0.127 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Program COOT 0.0.33 also has been used in refinement
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.29 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.85 Å / Total num. of bins used: 20
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