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- PDB-3fk1: E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate -
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Open data
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Basic information
Entry | Database: PDB / ID: 3fk1 | ||||||
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Title | E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | ||||||
![]() | 3-phosphoshikimate 1-carboxyvinyltransferase | ||||||
![]() | TRANSFERASE / Inside-out alpha-beta barrel / Amino-acid biosynthesis / Aromatic amino acid biosynthesis / Cytoplasm | ||||||
Function / homology | ![]() 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 | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Schonbrunn, E. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 107.8 KB | Display | ![]() |
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PDB format | ![]() | 80.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3fjxC ![]() 3fjzC ![]() 3fk0C ![]() 1g6sS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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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.) ![]() ![]() ![]() ![]() References: UniProt: P0A6D3, 3-phosphoshikimate 1-carboxyvinyltransferase | ||
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#2: Chemical | ChemComp-S3P / | ||
#3: Chemical | ChemComp-GPF / | ||
#4: Chemical | ChemComp-FMT / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.41 % |
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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: ![]() |
Detector | Type: RIGAKU RAXIS HTC / Detector: IMAGE PLATE / Date: Jan 11, 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: 46727 / Num. obs: 46727 / % possible obs: 96.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Rmerge(I) obs: 0.042 / Net I/σ(I): 19.3 |
Reflection shell | Resolution: 1.7→1.8 Å / Rmerge(I) obs: 0.094 / Mean I/σ(I) obs: 10 / Num. unique all: 6865 / % possible all: 91.4 |
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Processing
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Refinement | Starting model: 1g6s Resolution: 1.7→20 Å / Occupancy max: 1 / Occupancy min: 0.5 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Bsol: 39.243 Å2 | ||||||||||||||||||||||||||||
Displacement parameters | Biso max: 46.12 Å2 / Biso mean: 15.041 Å2 / Biso min: 3.79 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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