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- PDB-7znv: Artificial Unspecific Peroxygenase expressed in Pichia pastoris a... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7znv | ||||||
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Title | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution | ||||||
![]() | artificial unspecific peroxygenase | ||||||
![]() | OXIDOREDUCTASE / Heme / peroxygenase / UPO | ||||||
Function / homology | PROTOPORPHYRIN IX CONTAINING FE![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Robinson, W.X.Q. / Mielke, T. / Grogan, G. | ||||||
Funding support | 1items
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![]() | ![]() Title: Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli. Authors: Robinson, W.X.Q. / Mielke, T. / Melling, B. / Cuetos, A. / Parkin, A. / Unsworth, W.P. / Cartwright, J. / Grogan, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 74.1 KB | Display | ![]() |
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PDB format | ![]() | 51.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 15.3 KB | Display | |
Data in CIF | ![]() | 23.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7znmC ![]() 7znwC ![]() 5fujS S: Starting model for refinement 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 on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 26476.498 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-Sugars , 2 types, 2 molecules ![](data/chem/img/NAG.gif)
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
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#4: Sugar | ChemComp-NAG / |
-Non-polymers , 3 types, 375 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-HEM / |
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#5: Chemical | ChemComp-MG / |
#6: Water | ChemComp-HOH / |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.75 Å3/Da / Density % sol: 55.3 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / Details: 0.15 M KSCN, 25% (w/v) PEG 2000 MME |
-Data collection
Diffraction | Mean temperature: 120 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: May 4, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91587 Å / Relative weight: 1 |
Reflection | Resolution: 1.21→77.27 Å / Num. obs: 89172 / % possible obs: 99.9 % / Redundancy: 7.7 % / Biso Wilson estimate: 11 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.04 / Rpim(I) all: 0.02 / Net I/σ(I): 23.6 |
Reflection shell | Resolution: 1.21→1.23 Å / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 3.8 / Num. unique obs: 4348 / CC1/2: 0.92 / Rpim(I) all: 0.28 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5FUJ Resolution: 1.21→77.27 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.969 / SU B: 0.458 / SU ML: 0.021 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.032 / ESU R Free: 0.034 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 max: 60.6 Å2 / Biso mean: 14.58 Å2 / Biso min: 7.96 Å2
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Refinement step | Cycle: final / Resolution: 1.21→77.27 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.21→1.241 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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