+Open data
-Basic information
Entry | Database: PDB / ID: 1ryi | |||||||||
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Title | STRUCTURE OF GLYCINE OXIDASE WITH BOUND INHIBITOR GLYCOLATE | |||||||||
Components | GLYCINE OXIDASE | |||||||||
Keywords | OXIDOREDUCTASE / FLAVOPROTEIN / OXIDASE / PROTEIN-INHIBITOR COMPLEX | |||||||||
Function / homology | Function and homology information glycine oxidase / glycine oxidase activity / thiamine diphosphate biosynthetic process / thiamine biosynthetic process / response to herbicide / amino acid metabolic process / FAD binding / oxidoreductase activity / cytoplasm Similarity search - Function | |||||||||
Biological species | Bacillus subtilis (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 1.8 Å | |||||||||
Authors | Moertl, M. / Diederichs, K. / Welte, W. / Pollegioni, L. / Molla, G. / Motteran, L. / Andriolo, G. / Pilone, M.S. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Structure-function correlation in glycine oxidase from Bacillus subtilis Authors: Moertl, M. / Diederichs, K. / Welte, W. / Molla, G. / Motteran, L. / Andriolo, G. / Pilone, M.S. / Pollegioni, L. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ryi.cif.gz | 323.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ryi.ent.gz | 259.3 KB | Display | PDB format |
PDBx/mmJSON format | 1ryi.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ry/1ryi ftp://data.pdbj.org/pub/pdb/validation_reports/ry/1ryi | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | THE BIOLOGICAL ASSEMBLY IS A TETRAMER. THERE ARE TWO DIFFERENT TETRAMERS IN THE CRYSTAL. THE SECOND PART OF THE FIRST TETRAMER, WICH IS COMPOSED OF CHAIN A AND B AND IT'S SYMMETRY EQUIVALENTS, IS GENERATED BY THE TWO FOLD AXIS x, -y+2, -z+2. THE SECOND PART OF THE SECOND TETRAMER, WICH IS COMPOSED OF CHAIN C AND D AND IT'S SYMMETRY EQUIVALENTS, IS GENERATED BY THE TWO FOLD AXIS -x, y, -z+3/2. |
-Components
#1: Protein | Mass: 42636.719 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: GOXB, BSU11670 / Plasmid: PT7 / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21 (DE3) pLYS / References: UniProt: O31616, glycine oxidase #2: Chemical | ChemComp-FAD / #3: Chemical | ChemComp-GOA / #4: 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: 2.46 Å3/Da / Density % sol: 49.5 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8.2 Details: 10% w/v PEG 1000, 100 mM Imidazole, 200 mM Ca-Acetate, 30 mM Sodium-Glycolate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.97934 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Feb 28, 2003 |
Radiation | Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97934 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→19.92 Å / Num. all: 159578 / Num. obs: 159578 / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.8→1.9 Å / % possible all: 96.5 |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 1.8→19.92 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.948 / SU B: 2.782 / SU ML: 0.084 / Cross valid method: THROUGHOUT / ESU R: 0.116 / ESU R Free: 0.114 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.85 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→19.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.846 Å / Total num. of bins used: 20 /
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