+Open data
-Basic information
Entry | Database: PDB / ID: 4y4l | ||||||
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Title | Crystal structure of yeast Thi4-C205S | ||||||
Components | Thiamine thiazole synthase | ||||||
Keywords | BIOSYNTHETIC PROTEIN | ||||||
Function / homology | Function and homology information cysteine-dependent adenosine diphosphate thiazole synthase / thiazole biosynthetic process / pentosyltransferase activity / thiamine biosynthetic process / mitochondrial genome maintenance / ferrous iron binding / nucleus / cytosol Similarity search - Function | ||||||
Biological species | Saccharomyces cerevisiae (brewer's yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Zhang, X. / Ealick, S.E. | ||||||
Citation | Journal: Biochemistry / Year: 2016 Title: Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases. Authors: Zhang, X. / Eser, B.E. / Chanani, P.K. / Begley, T.P. / Ealick, S.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4y4l.cif.gz | 243.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4y4l.ent.gz | 196.5 KB | Display | PDB format |
PDBx/mmJSON format | 4y4l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/y4/4y4l ftp://data.pdbj.org/pub/pdb/validation_reports/y4/4y4l | HTTPS FTP |
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-Related structure data
Related structure data | 4y4mC 4y4nC 3fpzS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 37185.180 Da / Num. of mol.: 4 / Mutation: C205S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast) Strain: ATCC 204508 / S288c / Gene: THI4, ESP35, MOL1, YGR144W, G6620 / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21(DE3) / References: UniProt: P32318 #2: Chemical | ChemComp-48N / ( #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.5 % |
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Crystal grow | Temperature: 295 K / Method: evaporation / pH: 8.5 Details: 25% (w/v) PEG1500, 0.0125 M succinic acid, 0.04375M sodium dihydrogen phosphate, and 0.04375M glycine, pH 8.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9791 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 19, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 2→40 Å / Num. obs: 78765 / % possible obs: 100 % / Redundancy: 5 % / Rsym value: 0.07 / Net I/σ(I): 14.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3FPZ Resolution: 2→38.27 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.947 / Cross valid method: THROUGHOUT / ESU R: 0.18 / ESU R Free: 0.141 / 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: 23.019 Å2
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Refinement step | Cycle: LAST / Resolution: 2→38.27 Å
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Refine LS restraints |
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