+Open data
-Basic information
Entry | Database: PDB / ID: 8fu2 | ||||||
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Title | Crystal structure of T151G CAO1 in complex with piceatannol | ||||||
Components | Carotenoid oxygenase | ||||||
Keywords | OXIDOREDUCTASE/SUBSTRATE / non-heme iron / beta propeller / stilbene / dioxygenase / oxidoreductase / OXIDOREDUCTASE-SUBSTRATE complex | ||||||
Function / homology | Carotenoid oxygenase / Retinal pigment epithelial membrane protein / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / metal ion binding / BENZOIC ACID / : / PICEATANNOL / Carotenoid oxygenase Function and homology information | ||||||
Biological species | Neurospora crassa (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.9 Å | ||||||
Authors | Kiser, P.D. | ||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: Crystal structure of T151G CAO1 in complex with piceatannol Authors: Kiser, P.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8fu2.cif.gz | 453.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8fu2.ent.gz | 366.8 KB | Display | PDB format |
PDBx/mmJSON format | 8fu2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8fu2_validation.pdf.gz | 4.3 MB | Display | wwPDB validaton report |
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Full document | 8fu2_full_validation.pdf.gz | 4.3 MB | Display | |
Data in XML | 8fu2_validation.xml.gz | 89 KB | Display | |
Data in CIF | 8fu2_validation.cif.gz | 133.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fu/8fu2 ftp://data.pdbj.org/pub/pdb/validation_reports/fu/8fu2 | HTTPS FTP |
-Related structure data
Related structure data | |
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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: 59453.887 Da / Num. of mol.: 4 / Mutation: T151G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neurospora crassa (fungus) / Gene: GE21DRAFT_6499 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0B0DIC8 #2: Chemical | ChemComp-FE2 / #3: Chemical | ChemComp-PIT / #4: Chemical | ChemComp-BEZ / #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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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: 2.8 Å3/Da / Density % sol: 56.07 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 0.1 M HEPES-NaOH, pH 7, 42% sodium polyacrylate 2100, 10 mM piceatannol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 29, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. obs: 210597 / % possible obs: 99.9 % / Redundancy: 9.6 % / CC1/2: 0.999 / Rmerge(I) obs: 0.117 / Net I/σ(I): 17.53 |
Reflection shell | Resolution: 1.9→2.02 Å / Rmerge(I) obs: 1.634 / Mean I/σ(I) obs: 1.09 / Num. unique obs: 33485 / CC1/2: 0.444 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.9→49.99 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.962 / SU B: 3.589 / SU ML: 0.096 / Cross valid method: THROUGHOUT / ESU R: 0.126 / ESU R Free: 0.113 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1.1 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.799 Å2
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Refinement step | Cycle: 1 / Resolution: 1.9→49.99 Å
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