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Open data
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Basic information
Entry | Database: PDB / ID: 2c80 | ||||||
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Title | Structure of Sh28GST in complex with S-hexyl Glutathione | ||||||
![]() | GLUTATHIONE S-TRANSFERASE 28 KDA | ||||||
![]() | TRANSFERASE / SIGMA CLASS GST / DETOXIFICATION / GLUTATHIONE / PROSTAGLANDIN D2 SYNTHASE / INHIBITOR / ANTIGEN | ||||||
Function / homology | ![]() glutathione transferase / glutathione transferase activity / glutathione metabolic process Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Baiocco, P. / Gourlay, L.J. / Angelucci, F. / Bellelli, A. / Brunori, M. / Miele, A.E. | ||||||
![]() | ![]() Title: Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography. Authors: Baiocco, P. / Gourlay, L.J. / Angelucci, F. / Fontaine, J. / Herve, M. / Miele, A.E. / Trottein, F. / Brunori, M. / Bellelli, 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 | ![]() | 101.4 KB | Display | ![]() |
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PDB format | ![]() | 77.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 931.2 KB | Display | ![]() |
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Full document | ![]() | 935.6 KB | Display | |
Data in XML | ![]() | 20.4 KB | Display | |
Data in CIF | ![]() | 29.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2c8uC ![]() 2ca8C ![]() 2caiC ![]() 2caqC ![]() 2f8fC ![]() 1oe7S C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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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: 23936.746 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-PG4 / | #4: Water | ChemComp-HOH / | Compound details | CENTRAL ROLE IN THE PARASITE DETOXIFICA | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.15 % |
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Crystal grow | pH: 6 Details: 20%PEG3350, 0.2M MES PH 6.0, 5MM BETA-MERCAPTOETHANOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Apr 23, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.2 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→47 Å / Num. obs: 18295 / % possible obs: 99 % / Observed criterion σ(I): 1 / Redundancy: 3.5 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 11.3 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 6.5 / % possible all: 98.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1OE7 Resolution: 2.3→47.14 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.894 / SU B: 7.14 / SU ML: 0.178 / Cross valid method: THROUGHOUT / ESU R: 0.439 / ESU R Free: 0.258 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.86 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→47.14 Å
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Refine LS restraints |
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