+Open data
-Basic information
Entry | Database: PDB / ID: 3fk0 | ||||||
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Title | E. coli EPSP synthase (TIPS mutation) liganded with S3P | ||||||
Components | 3-phosphoshikimate 1-carboxyvinyltransferase | ||||||
Keywords | TRANSFERASE / Inside-out alpha-beta barrel / Amino-acid biosynthesis / Aromatic amino acid biosynthesis / Cytoplasm | ||||||
Function / homology | Function and homology information 3-phosphoshikimate 1-carboxyvinyltransferase / 3-phosphoshikimate 1-carboxyvinyltransferase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli K-12 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.7 Å | ||||||
Authors | Schonbrunn, E. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2009 Title: Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. Authors: Funke, T. / Yang, Y. / Han, H. / Healy-Fried, M. / Olesen, S. / Becker, A. / Schonbrunn, E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3fk0.cif.gz | 108 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3fk0.ent.gz | 80.6 KB | Display | PDB format |
PDBx/mmJSON format | 3fk0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3fk0_validation.pdf.gz | 811.1 KB | Display | wwPDB validaton report |
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Full document | 3fk0_full_validation.pdf.gz | 812.7 KB | Display | |
Data in XML | 3fk0_validation.xml.gz | 22.5 KB | Display | |
Data in CIF | 3fk0_validation.cif.gz | 35.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fk/3fk0 ftp://data.pdbj.org/pub/pdb/validation_reports/fk/3fk0 | HTTPS FTP |
-Related structure data
Related structure data | 3fjxC 3fjzC 3fk1C 1g6tS 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: 46143.629 Da / Num. of mol.: 1 / Fragment: EPSP synthase / Mutation: Thr97Ile, Pro101Ser Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Gene: aroA, b0908, JW0891 / Plasmid: pET-24d / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P0A6D3, 3-phosphoshikimate 1-carboxyvinyltransferase | ||
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#2: Chemical | ChemComp-S3P / | ||
#3: Chemical | ChemComp-FMT / #4: 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: 2.3 Å3/Da / Density % sol: 46.46 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: Na-formate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.54 Å |
Detector | Type: RIGAKU RAXIS HTC / Detector: IMAGE PLATE / Date: Jan 15, 2008 / Details: mirrors |
Radiation | Monochromator: mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→20 Å / Num. all: 47294 / Num. obs: 47294 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Rmerge(I) obs: 0.029 / Net I/σ(I): 30.4 |
Reflection shell | Resolution: 1.7→1.8 Å / Rmerge(I) obs: 0.077 / Mean I/σ(I) obs: 12.5 / Num. unique all: 7239 / % possible all: 98.2 |
-Processing
Software |
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Refinement | Starting model: 1g6t Resolution: 1.7→20 Å / Occupancy max: 1 / Occupancy min: 0.5 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): -3 / Stereochemistry target values: Engh & Huber
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Solvent computation | Bsol: 38.913 Å2 | ||||||||||||||||||||||||||||
Displacement parameters | Biso max: 47.82 Å2 / Biso mean: 16.097 Å2 / Biso min: 4.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.7→20 Å
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Refine LS restraints |
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LS refinement shell | Highest resolution: 1.7 Å | ||||||||||||||||||||||||||||
Xplor file |
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