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Yorodumi- PDB-2zba: Crystal Structure of F. sporotrichioides TRI101 complexed with Co... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2zba | ||||||
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Title | Crystal Structure of F. sporotrichioides TRI101 complexed with Coenzyme A and T-2 | ||||||
Components | Trichothecene 3-O-acetyltransferase | ||||||
Keywords | TRANSFERASE / acetyltransferase / BAHD superfamily / trichothecene / deoxynivalenol / T-2 / acetyl CoA / Fusarium / TRI101 | ||||||
Function / homology | Function and homology information acyltransferase activity, transferring groups other than amino-acyl groups / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / metal ion binding Similarity search - Function | ||||||
Biological species | Fusarium sporotrichioides (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 2 Å | ||||||
Authors | Garvey, G.S. / McCormick, S.P. / Rayment, I. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2008 Title: Structural and Functional Characterization of the TRI101 Trichothecene 3-O-Acetyltransferase from Fusarium sporotrichioides and Fusarium graminearum: KINETIC INSIGHTS TO COMBATING FUSARIUM HEAD BLIGHT Authors: Garvey, G.S. / McCormick, S.P. / Rayment, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2zba.cif.gz | 351.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2zba.ent.gz | 298.9 KB | Display | PDB format |
PDBx/mmJSON format | 2zba.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2zba_validation.pdf.gz | 2.1 MB | Display | wwPDB validaton report |
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Full document | 2zba_full_validation.pdf.gz | 2.2 MB | Display | |
Data in XML | 2zba_validation.xml.gz | 74.3 KB | Display | |
Data in CIF | 2zba_validation.cif.gz | 103.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zb/2zba ftp://data.pdbj.org/pub/pdb/validation_reports/zb/2zba | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 50998.559 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Fusarium sporotrichioides (fungus) / Gene: TRI101 / Plasmid details: rTEV cleavable N terminal His Tag / Plasmid: pET31b / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta(DE3) / References: UniProt: O94197 |
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-Non-polymers , 6 types, 924 molecules
#2: Chemical | ChemComp-COA / #3: Chemical | ChemComp-ZBA / #4: Chemical | #5: Chemical | ChemComp-DMS / | #6: Chemical | ChemComp-GOL / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.45 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.9 Details: 2.1M sodium malonate, 100 mM 3-N-morpholino propanesulfonic acid, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: .97907,.97924 | |||||||||
Detector | Detector: CCD | |||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
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Reflection | Resolution: 2→50 Å / Num. obs: 118024 / % possible obs: 89.2 % / Redundancy: 1.6 % / Biso Wilson estimate: 21.7 Å2 / Rmerge(I) obs: 0.049 / Net I/σ(I): 8.9 | |||||||||
Reflection shell | Resolution: 2→2.08 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.27 / Mean I/σ(I) obs: 1.7 / % possible all: 74.5 |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 2→30 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.909 / SU B: 4.603 / SU ML: 0.131 / Cross valid method: THROUGHOUT / ESU R: 0.241 / ESU R Free: 0.2 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.213 Å2
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Refinement step | Cycle: LAST / Resolution: 2→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.054 Å / Total num. of bins used: 20
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