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- PDB-7nc1: Glutathione-S-transferase GliG with partially disordered active site -
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Open data
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Basic information
Entry | Database: PDB / ID: 7nc1 | ||||||
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Title | Glutathione-S-transferase GliG with partially disordered active site | ||||||
![]() | Glutathione S-transferase GliG | ||||||
![]() | BIOSYNTHETIC PROTEIN / Aspergillus fumigatus / mycotoxin / glutathione-S-transferase / carbon-sulphur-bond / epidithiodioxopiperazine | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Groll, M. / Huber, E.M. | ||||||
![]() | ![]() Title: Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Authors: Scherlach, K. / Kuttenlochner, W. / Scharf, D.H. / Brakhage, A.A. / Hertweck, C. / Groll, M. / Huber, E.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 179.7 KB | Display | ![]() |
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PDB format | ![]() | 143.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 447.2 KB | Display | ![]() |
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Full document | ![]() | 449.7 KB | Display | |
Data in XML | ![]() | 16.4 KB | Display | |
Data in CIF | ![]() | 21.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7nc2C ![]() 7nc3C ![]() 7nc5C ![]() 7nc6C ![]() 7nc8C ![]() 7nc9C ![]() 7ncbC ![]() 7ncdC ![]() 7nceC ![]() 7nclC ![]() 7ncmC ![]() 7ncnC ![]() 7ncoC ![]() 7ncpC ![]() 7nctC ![]() 7ncuC 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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Unit cell |
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Components
#1: Protein | Mass: 28963.014 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ACT / | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.9 Å3/Da / Density % sol: 35.14 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.7 Details: 0.2 M Ammonium sulfate, 0.1 M Sodium acetate pH 4.7, 32 % PEG2000MME |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Aug 5, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→30 Å / Num. obs: 14009 / % possible obs: 99.8 % / Redundancy: 11.9 % / Rmerge(I) obs: 0.079 / Net I/σ(I): 22.4 |
Reflection shell | Resolution: 2.6→2.7 Å / Rmerge(I) obs: 0.479 / Mean I/σ(I) obs: 4.9 / Num. unique obs: 1449 |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
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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 max: 123.34 Å2 / Biso mean: 51.587 Å2 / Biso min: 21.28 Å2
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Refinement step | Cycle: final / Resolution: 2.6→23.93 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.601→2.668 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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