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Yorodumi- PDB-1r52: Crystal structure of the bifunctional chorismate synthase from Sa... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1r52 | ||||||
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Title | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE / two layers alpha-beta | ||||||
Function / homology | Function and homology information FMN reductase (NADPH) / FMN reductase (NAD(P)H) activity / FMN reductase (NADPH) activity / chorismate synthase / chorismate synthase activity / riboflavin reductase (NADPH) activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / FMN binding ...FMN reductase (NADPH) / FMN reductase (NAD(P)H) activity / FMN reductase (NADPH) activity / chorismate synthase / chorismate synthase activity / riboflavin reductase (NADPH) activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / FMN binding / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Saccharomyces cerevisiae (brewer's yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.89 Å | ||||||
Authors | Quevillon-Cheruel, S. / Leulliot, N. / Meyer, P. / Graille, M. / Bremang, M. / Blondeau, K. / Sorel, I. / Poupon, A. / Janin, J. / van Tilbeurgh, H. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae Authors: Quevillon-Cheruel, S. / Leulliot, N. / Meyer, P. / Graille, M. / Bremang, M. / Blondeau, K. / Sorel, I. / Poupon, A. / Janin, J. / van Tilbeurgh, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1r52.cif.gz | 226 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1r52.ent.gz | 179.5 KB | Display | PDB format |
PDBx/mmJSON format | 1r52.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/r5/1r52 ftp://data.pdbj.org/pub/pdb/validation_reports/r5/1r52 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: PHE / End label comp-ID: PHE / Refine code: 4 / Auth seq-ID: 1 - 370 / Label seq-ID: 1 - 370
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Details | the biological assembly is the tetramer present in the asymetric unit |
-Components
#1: Protein | Mass: 41721.145 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Gene: YGL148w / Plasmid: pET9 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta(DE3)pLysS / References: UniProt: P28777, chorismate synthase #2: 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: 2.82 Å3/Da / Density % sol: 56.09 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: Na-citrate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 293 K / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.934 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 2.89→30 Å / Num. obs: 110781 / % possible obs: 90 % / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 21.5 |
Reflection | *PLUS Highest resolution: 2.9 Å / Num. obs: 26514 / Num. measured all: 110781 |
Reflection shell | *PLUS % possible obs: 62.3 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 9.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.89→29.75 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.912 / SU B: 14.136 / SU ML: 0.272 / Cross valid method: THROUGHOUT / ESU R Free: 0.395 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.347 Å2
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Refinement step | Cycle: LAST / Resolution: 2.89→29.75 Å
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Refine LS restraints |
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Refine LS restraints NCS | Ens-ID: 1 / Number: 4004 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 2.888→2.962 Å / Total num. of bins used: 20 /
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Refinement | *PLUS Lowest resolution: 29.7 Å / % reflection Rfree: 5 % / Rfactor Rfree: 0.224 / Rfactor Rwork: 0.188 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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