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Open data
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Basic information
Entry | Database: PDB / ID: 8rnj | ||||||
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Title | Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) | ||||||
![]() | Unspecific peroxygenase | ||||||
![]() | OXIDOREDUCTASE / peroxygenase / peroxidase | ||||||
Function / homology | PROTOPORPHYRIN IX CONTAINING FE / DI(HYDROXYETHYL)ETHER![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fernandez-Garcia, A. / Sanz-Aparicio, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Insights and Reaction Profile of a New Unspecific Peroxygenase from Marasmius wettsteinii Produced in a Tandem-Yeast Expression System. Authors: Sanchez-Moreno, I. / Fernandez-Garcia, A. / Mateljak, I. / Gomez de Santos, P. / Hofrichter, M. / Kellner, H. / Sanz-Aparicio, J. / Alcalde, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 121.7 KB | Display | ![]() |
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PDB format | ![]() | 92 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.1 MB | Display | ![]() |
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Full document | ![]() | 2.1 MB | Display | |
Data in XML | ![]() | 29.5 KB | Display | |
Data in CIF | ![]() | 40.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8rnkC ![]() 8rnlC ![]() 8rnmC ![]() 8rnnC ![]() 8rnoC ![]() 8rnpC ![]() 8rnqC ![]() 8rnrC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
-Protein / Sugars , 2 types, 7 molecules AB

#1: Protein | Mass: 25899.092 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #4: Sugar | ChemComp-NAG / |
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-Non-polymers , 6 types, 456 molecules 










#2: Chemical | #3: Chemical | #5: Chemical | #6: Chemical | ChemComp-GOL / #7: Chemical | #8: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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Has protein modification | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.92 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 25% PEG 400, 100 mM sodium acetate pH 4.6, 100 mM magnesium chloride. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 5, 2021 / Details: KB MIRRORS |
Radiation | Monochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→47.56 Å / Num. obs: 67994 / % possible obs: 99.7 % / Redundancy: 7.3 % / CC1/2: 0.999 / Rmerge(I) obs: 0.055 / Rpim(I) all: 0.022 / Rrim(I) all: 0.059 / Χ2: 0.94 / Net I/σ(I): 16.5 |
Reflection shell | Resolution: 1.6→1.63 Å / Redundancy: 7 % / Rmerge(I) obs: 0.691 / Mean I/σ(I) obs: 2.8 / Num. unique obs: 3379 / CC1/2: 0.867 / Rpim(I) all: 0.28 / Rrim(I) all: 0.748 / Χ2: 0.96 / % possible all: 98.2 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 23.091 Å2
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Refinement step | Cycle: 1 / Resolution: 1.6→47.56 Å
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Refine LS restraints |
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