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Yorodumi- PDB-6kel: Crystal structure of Drosophila melanogaster Noppera-bo, glutathi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6kel | ||||||||||||
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Title | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form | ||||||||||||
Components | Glutathione S-transferase E14 | ||||||||||||
Keywords | TRANSFERASE / Glutathione / Glutathione S-transferase / GST | ||||||||||||
Function / homology | Function and homology information ecdysteroid biosynthetic process / steroid delta-isomerase activity / glutathione transferase / glutathione transferase activity / glutathione metabolic process / cholesterol homeostasis / response to toxic substance / cytoplasm Similarity search - Function | ||||||||||||
Biological species | Drosophila melanogaster (fruit fly) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.4 Å | ||||||||||||
Authors | Koiwai, K. / Inaba, K. / Morohashi, K. / Yumoto, F. / Senda, T. / Niwa, R. | ||||||||||||
Funding support | Japan, 3items
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Citation | Journal: J.Biol.Chem. / Year: 2020 Title: An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. Authors: Koiwai, K. / Inaba, K. / Morohashi, K. / Enya, S. / Arai, R. / Kojima, H. / Okabe, T. / Fujikawa, Y. / Inoue, H. / Yoshino, R. / Hirokawa, T. / Kato, K. / Fukuzawa, K. / Shimada-Niwa, Y. / ...Authors: Koiwai, K. / Inaba, K. / Morohashi, K. / Enya, S. / Arai, R. / Kojima, H. / Okabe, T. / Fujikawa, Y. / Inoue, H. / Yoshino, R. / Hirokawa, T. / Kato, K. / Fukuzawa, K. / Shimada-Niwa, Y. / Nakamura, A. / Yumoto, F. / Senda, T. / Niwa, R. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6kel.cif.gz | 142.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6kel.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 6kel.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ke/6kel ftp://data.pdbj.org/pub/pdb/validation_reports/ke/6kel | HTTPS FTP |
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-Related structure data
Related structure data | 6kemC 6kenC 6keoC 6kepC 6keqC 6kerC 4pngS S: Starting model for refinement C: citing same article (ref.) |
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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: 27543.766 Da / Num. of mol.: 2 / Mutation: T120I Source method: isolated from a genetically manipulated source Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: GstE14, GSTD14-14, nobo, CG4688 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q7JYX0, glutathione transferase #2: Chemical | ChemComp-TRS / | #3: Water | ChemComp-HOH / | Has ligand of interest | N | Sequence details | Authors state that the conflicts are due to natural valiant. | |
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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: 2.31 Å3/Da / Density % sol: 46.68 % / Description: Orthorhombic |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.4 / Details: 27.5% (w/v) PEG 3350, 100 mM MES-NaOH, and pH 5.4 |
-Data collection
Diffraction | Mean temperature: 95 K / Ambient temp details: Nitrogen gas flow / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-1A / Wavelength: 1.1 Å |
Detector | Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Dec 9, 2015 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→46.64 Å / Num. obs: 91281 / % possible obs: 96 % / Redundancy: 13.6 % / Biso Wilson estimate: 13.16 Å2 / Rmerge(I) obs: 0.095 / Rrim(I) all: 0.098 / Net I/σ(I): 23.2 |
Reflection shell | Resolution: 1.4→1.45 Å / Redundancy: 11.2 % / Rmerge(I) obs: 0.662 / Mean I/σ(I) obs: 3.31 / Num. unique obs: 8464 / CC1/2: 0.717 / Rrim(I) all: 0.694 / % possible all: 91.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4PNG Resolution: 1.4→46.64 Å / SU ML: 0.1266 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 15.8968
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.18 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→46.64 Å
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Refine LS restraints |
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LS refinement shell |
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