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Yorodumi- PDB-2v1i: Crystal structure of radiation-induced metmyoglobin - aqua ferrou... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2v1i | ||||||
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Title | Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 6.8 | ||||||
Components | MYOGLOBIN | ||||||
Keywords | OXYGEN TRANSPORT / OXYGEN ACTIVATION / MONOOXYGENASE / METAL-BINDING / MUSCLE PROTEIN / REACTION INTERMEDIATE / HAEM / IRON / HEME / TRANSPORT / RADIATION | ||||||
Function / homology | Function and homology information nitrite reductase activity / Oxidoreductases; Acting on other nitrogenous compounds as donors / oxygen transport / sarcoplasm / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases / removal of superoxide radicals / peroxidase activity / oxygen carrier activity / oxygen binding / heme binding / metal ion binding Similarity search - Function | ||||||
Biological species | EQUUS CABALLUS (horse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.2 Å | ||||||
Authors | Hersleth, H.-P. / Gorbitz, C.H. / Andersson, K.K. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2007 Title: Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O Authors: Hersleth, H.-P. / Uchida, T. / Rohr, A.K. / Teschner, T. / Schunemann, V. / Kitagawa, T. / Trautwein, A.X. / Gorbitz, C.H. / Andersson, K.K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2v1i.cif.gz | 89.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2v1i.ent.gz | 67.6 KB | Display | PDB format |
PDBx/mmJSON format | 2v1i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/v1/2v1i ftp://data.pdbj.org/pub/pdb/validation_reports/v1/2v1i | HTTPS FTP |
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-Related structure data
Related structure data | 2v1eC 2v1fC 2v1gC 2v1hC 2v1jC 2v1kC 1gjnS S: Starting model for refinement C: citing same article (ref.) |
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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
#1: Protein | Mass: 16983.514 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: FE(II)-OH2 / Source: (natural) EQUUS CABALLUS (horse) / Organ: HEART / References: UniProt: P68082 | ||||
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#2: Chemical | ChemComp-HEM / | ||||
#3: Chemical | #4: Chemical | ChemComp-GOL / #5: 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: 1.41 Å3/Da / Density % sol: 31.94 % |
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Crystal grow | pH: 6.8 Details: BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M MOPS AND 5-10% OF GLYCEROL PH 6.8) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-3 / Wavelength: 0.9312 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Apr 30, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9312 Å / Relative weight: 1 |
Reflection | Resolution: 1.2→22 Å / Num. obs: 36225 / % possible obs: 94 % / Redundancy: 2.7 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 16.4 |
Reflection shell | Resolution: 1.2→1.23 Å / Redundancy: 2 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 3.4 / % possible all: 86.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1GJN Resolution: 1.2→21.95 Å / Cor.coef. Fo:Fc: 0.978 / Cor.coef. Fo:Fc free: 0.968 / Cross valid method: THROUGHOUT / ESU R: 0.047 / ESU R Free: 0.044 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.51 Å2
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Refinement step | Cycle: LAST / Resolution: 1.2→21.95 Å
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Refine LS restraints |
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