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- PDB-8a0i: Crystal structure of poplar glutathione transferase U20 in comple... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8a0i | ||||||
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Title | Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone | ||||||
![]() | Glutathione transferase![]() | ||||||
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Function / homology | ![]() response to chemical / ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Didierjean, C. / Favier, F. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Authors: Sylvestre-Gonon, E. / Morette, L. / Viloria, M. / Mathiot, S. / Boutilliat, A. / Favier, F. / Rouhier, N. / Didierjean, C. / Hecker, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 65.9 KB | Display | ![]() |
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PDB format | ![]() | 47.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7zs3C ![]() 7zvpC ![]() 7zznC ![]() 8a08SC ![]() 8a0oC ![]() 8a0pC ![]() 8a0qC ![]() 8a0rC C: citing same article ( S: Starting model for refinement |
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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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | ![]() Mass: 24957.967 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-CNZ / |
#3: Water | ChemComp-HOH / ![]() |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.92 Å3/Da / Density % sol: 57.86 % |
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Crystal grow![]() | Temperature: 277 K / Method: microbatch / pH: 8.5 Details: 200 mM calcium chloride, 100 mM Tris-HCl pH 8.5, 20 % w/v PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Nov 19, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.624→45.5 Å / Num. obs: 38378 / % possible obs: 99.7 % / Redundancy: 25 % / Biso Wilson estimate: 31.5 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.064 / Net I/σ(I): 28.6 |
Reflection shell | Resolution: 1.624→1.67 Å / Mean I/σ(I) obs: 2.1 / Num. unique obs: 2678 / CC1/2: 0.78 / % possible all: 95.5 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 8A08 Resolution: 1.624→45.45 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.954 / SU R Cruickshank DPI: 0.09 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.098 / SU Rfree Blow DPI: 0.094 / SU Rfree Cruickshank DPI: 0.088
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Displacement parameters | Biso mean: 33.69 Å2
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Refine analyze | Luzzati coordinate error obs: 0.24 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.624→45.45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.624→1.64 Å /
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