+Open data
-Basic information
Entry | Database: PDB / ID: 1gwt | ||||||
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Title | RECOMBINANT HORSERADISH PEROXIDASE C1A PHE221MET | ||||||
Components | PEROXIDASE C1A | ||||||
Keywords | OXIDOREDUCTASE / PEROXIDASE | ||||||
Function / homology | Function and homology information lactoperoxidase activity / peroxidase / vacuole / hydrogen peroxide catabolic process / response to oxidative stress / heme binding / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | ARMORACIA RUSTICANA (horseradish) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Henriksen, A. / Brissett, N. / Gajhede, M. | ||||||
Citation | Journal: To be Published Title: Hrpc Heme Crevice Architecture Authors: Henriksen, A. / Brissett, N. / Meno, K. / Mirza, O. / Gajhede, M. #1: Journal: J.Biol.Chem. / Year: 1999 Title: The Structures of the Horseradish Peroxidase C-Ferulic Acid Complex and the Ternary Complex with Cyanide Suggest How Peroxidases Oxidize Small Phenolic Substrates Authors: Henriksen, A. / Smith, A.T. / Gajhede, M. #2: Journal: Biochemistry / Year: 1998 Title: Structural Interactions between Horseradish Peroxidase C and the Substrate Benzhydroxamic Acid Determined by X-Ray Crystallography Authors: Henriksen, A. / Schuller, D.J. / Meno, K. / Welinder, K.G. / Smith, A.T. / Gajhede, M. #3: Journal: Nat.Struct.Biol. / Year: 1997 Title: Crystal Structure of Horseradish Peroxidase C at 2.15 A Resolution Authors: Gajhede, M. / Schuller, D.J. / Henriksen, A. / Smith, A.T. / Poulos, T.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1gwt.cif.gz | 89.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1gwt.ent.gz | 64.7 KB | Display | PDB format |
PDBx/mmJSON format | 1gwt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gw/1gwt ftp://data.pdbj.org/pub/pdb/validation_reports/gw/1gwt | HTTPS FTP |
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-Related structure data
Related structure data | 1gw2C 1gwoC 1gwuC 1gx2C 7atjS 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: 34063.363 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ARMORACIA RUSTICANA (horseradish) / Description: SYNTHETIC GENE / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P00433, peroxidase |
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-Non-polymers , 5 types, 414 molecules
#2: Chemical | ChemComp-HEM / | ||||||
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#3: Chemical | #4: Chemical | ChemComp-NA / | #5: Chemical | ChemComp-FER / | #6: Water | ChemComp-HOH / | |
-Details
Compound details | ENGINEERED |
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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: 2.4 Å3/Da / Density % sol: 48.6 % |
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Crystal grow | pH: 6.5 Details: 16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: MAX II / Beamline: I711 / Wavelength: 0.9831 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: May 15, 2000 / Details: VERTICALLY FOCUSING CYLINDRICAL MIRROR |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9831 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→12.95 Å / Num. obs: 174247 / % possible obs: 93.5 % / Observed criterion σ(I): 0 / Redundancy: 5.1 % / Biso Wilson estimate: 13.2 Å2 / Rmerge(I) obs: 0.035 |
Reflection shell | Resolution: 1.7→1.76 Å / Rmerge(I) obs: 0.214 / % possible all: 74.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 7ATJ Resolution: 1.7→12.95 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 427835.59 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MLF
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 55.4638 Å2 / ksol: 0.402198 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.7→12.95 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.7→1.81 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 6
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