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Yorodumi- PDB-7wrt: X-ray structure ofThermus thermophilus HB8 transketorase demonstr... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7wrt | ||||||
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Title | X-ray structure ofThermus thermophilus HB8 transketorase demonstrate in complex with TPP and D-erythrose-4-phosphate | ||||||
Components | Transketolase | ||||||
Keywords | TRANSFERASE / transketolase / complex / TPP / D-erythrose-4-phosphate | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Thermus thermophilus HB8 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 Å | ||||||
Authors | Kamitori, S. / Yoshihara, A. | ||||||
Funding support | 1items
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Citation | Journal: Appl.Microbiol.Biotechnol. / Year: 2023 Title: Structural and biochemical characterizations of Thermus thermophilus HB8 transketolase producing a heptulose. Authors: Yoshihara, A. / Takamatsu, Y. / Mochizuki, S. / Yoshida, H. / Masui, R. / Izumori, K. / Kamitori, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7wrt.cif.gz | 521.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7wrt.ent.gz | 412.1 KB | Display | PDB format |
PDBx/mmJSON format | 7wrt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wr/7wrt ftp://data.pdbj.org/pub/pdb/validation_reports/wr/7wrt | HTTPS FTP |
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-Related structure data
Related structure data | 7wrrC 2e6kS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 74230.727 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermus thermophilus HB8 (bacteria) / Gene: TTHA0108 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5SM35, transketolase #2: Chemical | ChemComp-TPP / #3: Chemical | ChemComp-CA / #4: Sugar | ChemComp-E4P / #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
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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: 2.33 Å3/Da / Density % sol: 47.12 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 100mM imidazole/MES buffer pH 6.5, 20%(v/v) ethylene glycol, 10% (w/v) PEG 8000, 24mM of D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, and N-acetyl-D-glucosamine |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 17, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→41.86 Å / Num. obs: 124659 / % possible obs: 98.1 % / Redundancy: 3.5 % / CC1/2: 0.998 / Net I/σ(I): 18.6 |
Reflection shell | Resolution: 2.25→2.31 Å / Num. unique obs: 9119 / CC1/2: 0.839 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2E6K Resolution: 2.25→41.86 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.935 / WRfactor Rfree: 0.231 / WRfactor Rwork: 0.18 / SU B: 9.404 / SU ML: 0.221 / Average fsc free: 0.8578 / Average fsc work: 0.8747 / Cross valid method: FREE R-VALUE / ESU R: 0.352 / ESU R Free: 0.244 Details: Hydrogens have been added in their riding positions
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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 BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 55.66 Å2
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Refinement step | Cycle: LAST / Resolution: 2.25→41.86 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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