+Open data
-Basic information
Entry | Database: PDB / ID: 6qa0 | ||||||
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Title | MSRB3 - AA 1-137 | ||||||
Components | Methionine-R-sulfoxide reductase B3 | ||||||
Keywords | OXIDOREDUCTASE / Enzyme / Methionine Sulfoxide | ||||||
Function / homology | Function and homology information L-methionine (R)-S-oxide reductase / L-methionine-(R)-S-oxide reductase activity / peptide-methionine (R)-S-oxide reductase / peptide-methionine (R)-S-oxide reductase activity / Protein repair / protein repair / response to oxidative stress / endoplasmic reticulum / mitochondrion / zinc ion binding ...L-methionine (R)-S-oxide reductase / L-methionine-(R)-S-oxide reductase activity / peptide-methionine (R)-S-oxide reductase / peptide-methionine (R)-S-oxide reductase activity / Protein repair / protein repair / response to oxidative stress / endoplasmic reticulum / mitochondrion / zinc ion binding / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.709 Å | ||||||
Authors | Javitt, G. / Fass, D. | ||||||
Citation | Journal: Antioxid.Redox Signal. / Year: 2020 Title: Structure and Electron-Transfer Pathway of the Human Methionine Sulfoxide Reductase MsrB3. Authors: Javitt, G. / Cao, Z. / Resnick, E. / Gabizon, R. / Bulleid, N.J. / Fass, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6qa0.cif.gz | 79.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6qa0.ent.gz | 57.8 KB | Display | PDB format |
PDBx/mmJSON format | 6qa0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6qa0_validation.pdf.gz | 438.7 KB | Display | wwPDB validaton report |
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Full document | 6qa0_full_validation.pdf.gz | 438.6 KB | Display | |
Data in XML | 6qa0_validation.xml.gz | 16.2 KB | Display | |
Data in CIF | 6qa0_validation.cif.gz | 23.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qa/6qa0 ftp://data.pdbj.org/pub/pdb/validation_reports/qa/6qa0 | HTTPS FTP |
-Related structure data
Related structure data | 6q9vC 3cezS 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: 15921.589 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: MSRB3, UNQ1965/PRO4487 / Cell line (production host): HEK 293F / Production host: Homo sapiens (human) References: UniProt: Q8IXL7, peptide-methionine (R)-S-oxide reductase, L-methionine (R)-S-oxide reductase #2: Chemical | ChemComp-SO4 / | #3: Chemical | ChemComp-CL / | #4: Chemical | #5: Water | ChemComp-HOH / | |
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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: 2.68 Å3/Da / Density % sol: 54.19 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 200mM NaCl, 100mM Sodium Cacodylate pH 7.4, 1.6M Ammonium Sulfate, 20% Glycerol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.87313 Å | ||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS3 X 2M / Detector: PIXEL / Date: Nov 29, 2018 | ||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.87313 Å / Relative weight: 1 | ||||||||||||||||||||||||
Reflection | Resolution: 1.71→42.86 Å / Num. obs: 37570 / % possible obs: 99.2 % / Redundancy: 4.2 % / Biso Wilson estimate: 24.88 Å2 / Rpim(I) all: 0.041 / Rrim(I) all: 0.084 / Net I/σ(I): 11.3 / Num. measured all: 159023 | ||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3CEZ Resolution: 1.709→42.649 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 21.43 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 92.1 Å2 / Biso mean: 30.8458 Å2 / Biso min: 14.6 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.709→42.649 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13
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