+Open data
-Basic information
Entry | Database: PDB / ID: 2c8u | ||||||
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Title | Structure of R21Q mutant of Sh28GST | ||||||
Components | GLUTATHIONE S-TRANSFERASE 28 KDA | ||||||
Keywords | TRANSFERASE / SIGMA CLASS GST / DETOXIFICATION / GLUTATHIONE / PROSTAGLANDIN D2 SYNTHASE / MUTANT | ||||||
Function / homology | Function and homology information | ||||||
Biological species | SCHISTOSOMA HAEMATOBIUM (invertebrata) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Baiocco, P. / Gourlay, L.J. / Angelucci, F. / Bellelli, A. / Miele, A.E. / Brunori, M. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2006 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2c8u.cif.gz | 97.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2c8u.ent.gz | 75.4 KB | Display | PDB format |
PDBx/mmJSON format | 2c8u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c8/2c8u ftp://data.pdbj.org/pub/pdb/validation_reports/c8/2c8u | HTTPS FTP |
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-Related structure data
Related structure data | 2c80C 2ca8C 2caiC 2caqC 2f8fC 1oe7S 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: 23907.680 Da / Num. of mol.: 2 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) SCHISTOSOMA HAEMATOBIUM (invertebrata) / Plasmid: PET-23D / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P30113, glutathione transferase #2: Chemical | ChemComp-SO4 / #3: Chemical | #4: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 44.58 % |
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Crystal grow | pH: 6 Details: 2.3 AMMONIUM SULPHATE, 0.1 M MES PH 6.0, 5MM BETA-MERCAPTOETHANOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ELETTRA / Beamline: 5.2R / Wavelength: 1.2 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: May 5, 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→43.97 Å / Num. obs: 29529 / % possible obs: 100 % / Observed criterion σ(I): 1 / Redundancy: 4.6 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 15 |
Reflection shell | Highest resolution: 2 Å / Mean I/σ(I) obs: 1.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1OE7 Resolution: 2→53.38 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.899 / SU B: 5.533 / SU ML: 0.159 / Cross valid method: THROUGHOUT / ESU R: 0.229 / ESU R Free: 0.217 / 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: 36.5 Å2
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Refinement step | Cycle: LAST / Resolution: 2→53.38 Å
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Refine LS restraints |
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