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Yorodumi- PDB-3fp0: Structural and Functional Characterization of TRI3 Trichothecene ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3fp0 | |||||||||
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Title | Structural and Functional Characterization of TRI3 Trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides | |||||||||
Components | 15-O-acetyltransferase | |||||||||
Keywords | TRANSFERASE / Fusarium Head Blight / Trichothecene mycotoxin / Deoxynivalenol / T-2 toxin / Fusarium graminearum / Fusarium sporotrichioides / acetyltransferase / coenzyme A / BAHD superfamily | |||||||||
Function / homology | Function and homology information mycotoxin biosynthetic process / Transferases; Acyltransferases; Aminoacyltransferases / acetyltransferase activity Similarity search - Function | |||||||||
Biological species | Fusarium sporotrichioides (fungus) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | |||||||||
Authors | Garvey, G.S. / Rayment, I. / McCormick, S.P. / Alexander, N.J. | |||||||||
Citation | Journal: Protein Sci. / Year: 2009 Title: Structural and functional characterization of TRI3 trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides Authors: Garvey, G.S. / McCormick, S.P. / Alexander, N.J. / Rayment, I. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3fp0.cif.gz | 125.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3fp0.ent.gz | 93.7 KB | Display | PDB format |
PDBx/mmJSON format | 3fp0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fp/3fp0 ftp://data.pdbj.org/pub/pdb/validation_reports/fp/3fp0 | HTTPS FTP |
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-Related structure data
Related structure data | 3fotSC 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: 58244.867 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Fusarium sporotrichioides (fungus) / Gene: TRI3 / Plasmid: pKLD37 / Production host: Escherichia coli (E. coli) / Strain (production host): HMS174(DE3) / References: UniProt: Q9C1B7 |
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#2: Polysaccharide | alpha-D-fructofuranose-(2-1)-alpha-D-glucopyranose / surcrose isoform |
#3: Chemical | ChemComp-FP0 / ( |
#4: Chemical | ChemComp-EPE / |
#5: Water | ChemComp-HOH / |
Sequence details | THE AUTHORS STATE THAT THESE RESIDUES WERE OBSERVED IN THE SPECIFIC STRAIN OF FUSARIUM ...THE AUTHORS STATE THAT THESE RESIDUES WERE OBSERVED IN THE SPECIFIC STRAIN OF FUSARIUM SPOROTRICH |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.03 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 2M Ammonium sulfate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Site: APS / Beamline: 19-BM / Type: RIGAKU RU200 / Wavelength: 1.5416 |
Detector | Type: Bruker Platinum 135 / Detector: CCD / Date: Mar 6, 2007 |
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5416 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→62.2 Å / Num. all: 40792 / Num. obs: 40098 / % possible obs: 98 % / Redundancy: 4.96 % / Biso Wilson estimate: 15 Å2 / Rsym value: 0.092 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 2.35 % / Mean I/σ(I) obs: 1.9 / Num. unique all: 5384 / Rsym value: 0.373 / % possible all: 90 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3FOT Resolution: 1.9→62.14 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.912 / SU B: 3.542 / SU ML: 0.105 / Cross valid method: THROUGHOUT / ESU R: 0.166 / ESU R Free: 0.158 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.602 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→62.14 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.948 Å / Total num. of bins used: 20
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