+Open data
-Basic information
Entry | Database: PDB / ID: 7zzn | ||||||
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Title | Crystal structure of poplar glutathione transferase U20 | ||||||
Components | Glutathione transferaseGlutathione S-transferase | ||||||
Keywords | TRANSFERASE / Glutathione / Tau | ||||||
Function / homology | Function and homology information response to chemical / glutathione transferase / glutathione transferase activity / glutathione metabolic process / cytoplasm Similarity search - Function | ||||||
Biological species | Populus trichocarpa (black cottonwood) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.01 Å | ||||||
Authors | Didierjean, C. / Favier, F. | ||||||
Funding support | France, 1items
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Citation | Journal: Front Mol Biosci / Year: 2022 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7zzn.cif.gz | 57.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7zzn.ent.gz | 39.3 KB | Display | PDB format |
PDBx/mmJSON format | 7zzn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zz/7zzn ftp://data.pdbj.org/pub/pdb/validation_reports/zz/7zzn | HTTPS FTP |
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-Related structure data
Related structure data | 7zs3SC 7zvpC 8a08C 8a0iC 8a0oC 8a0pC 8a0qC 8a0rC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-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.) Populus trichocarpa (black cottonwood) / Gene: POPTR_008G175000, POPTR_1996s00210g / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: D2X9R3, glutathione transferase |
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#2: Chemical | ChemComp-CA / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.87 Å3/Da / Density % sol: 57.21 % |
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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: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.980106 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 6, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.980106 Å / Relative weight: 1 |
Reflection | Resolution: 2.01→47.8 Å / Num. obs: 20354 / % possible obs: 99.7 % / Redundancy: 25 % / Biso Wilson estimate: 49.4 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.057 / Net I/σ(I): 31.8 |
Reflection shell | Resolution: 2.01→2.06 Å / Redundancy: 25 % / Mean I/σ(I) obs: 2.2 / Num. unique obs: 1413 / CC1/2: 0.89 / % possible all: 96.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7ZS3 Resolution: 2.01→20.67 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.938 / SU R Cruickshank DPI: 0.165 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.175 / SU Rfree Blow DPI: 0.153 / SU Rfree Cruickshank DPI: 0.148
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Displacement parameters | Biso mean: 56.78 Å2
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Refine analyze | Luzzati coordinate error obs: 0.29 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.01→20.67 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.01→2.02 Å
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