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Yorodumi- PDB-3fm4: Crystal Structure Analysis of Fungal Versatile Peroxidase from Pl... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3fm4 | ||||||
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Title | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | ||||||
Components | Versatile peroxidase VPL2 | ||||||
Keywords | OXIDOREDUCTASE / CLASS II (FUNGAL) PEROXIDASES / protoporphyrin IX / ELECTRON TRANSFER / LIGNIN PEROXIDASE / LIGNIN DEGRADATION / MANGANESE PEROXIDASE / MN-INDEPENDENT OXIDATION PHENOLIC NON-PHENOLIC AROMATICS / MNII OXIDATION / PEROXIDASE / POLYVALENT PEROXIDASE / Heme / Hydrogen peroxide / Iron / Manganese / Metal-binding / Secreted / Zymogen | ||||||
Function / homology | Function and homology information versatile peroxidase / reactive-black-5:hydrogen-peroxide oxidoreductase activity / manganese peroxidase activity / lignin catabolic process / response to reactive oxygen species / hydrogen peroxide catabolic process / cellular response to oxidative stress / heme binding / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | Pleurotus eryngii (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.11 Å | ||||||
Authors | Piontek, K. / Martinez, A.T. / Choinowski, T. / Plattner, D.A. | ||||||
Citation | Journal: To be Published Title: Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates Authors: Piontek, K. / Choinowski, T. / Perez-Boada, M. / Ruiz-Duenas, F.J. / Martinez, M.J. / Plattner, D.A. / Martinez, A.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3fm4.cif.gz | 87.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3fm4.ent.gz | 64.2 KB | Display | PDB format |
PDBx/mmJSON format | 3fm4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fm/3fm4 ftp://data.pdbj.org/pub/pdb/validation_reports/fm/3fm4 | HTTPS FTP |
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-Related structure data
Related structure data | 3fjwC 3fkgSC 3fm1C 3fm6C 3fmuC C: citing same article (ref.) S: Starting model for refinement |
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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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 34561.691 Da / Num. of mol.: 1 / Mutation: D175A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pleurotus eryngii (fungus) / Strain: IJFM, A169 / Gene: VPL2 / Plasmid: PFLAG1-VPL2 / Production host: Escherichia coli (E. coli) / Strain (production host): W3110 / References: UniProt: O94753, versatile peroxidase |
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-Non-polymers , 6 types, 375 molecules
#2: Chemical | ChemComp-HEM / | ||||||||
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#3: Chemical | #4: Chemical | ChemComp-ZN / #5: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.94 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 9.0mg/ml protein in 10mM Na-tartrate pH 5.5, 16% PEG 8000, 100mM Zn-acetate, 100mM Na-cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.8065 Å |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Nov 15, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8065 Å / Relative weight: 1 |
Reflection | Resolution: 2.11→40 Å / Num. all: 22013 / Num. obs: 21485 / % possible obs: 97.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.8 % / Rsym value: 0.084 / Net I/σ(I): 9.1 |
Reflection shell | Resolution: 2.11→2.15 Å / Mean I/σ(I) obs: 1.7 / Num. unique all: 839 / Rsym value: 0.367 / % possible all: 78.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3FKG Resolution: 2.11→32.88 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.943 / SU B: 2.415 / SU ML: 0.066 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.168 / ESU R Free: 0.158 / 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: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.046 Å2
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Refinement step | Cycle: LAST / Resolution: 2.11→32.88 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.11→2.165 Å / Total num. of bins used: 20
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