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- PDB-2aet: R304K trichodiene synthase: Complex with Mg, pyrophosphate, and (... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2aet | ||||||
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Title | R304K trichodiene synthase: Complex with Mg, pyrophosphate, and (4S)-7-azabisabolene | ||||||
![]() | Trichodiene synthase | ||||||
![]() | LYASE / pyrophosphate / terpenoid synthase fold / site-directed mutagenesis / (4S)-7-azabisabolene | ||||||
Function / homology | ![]() trichodiene synthase / sesquiterpenoid biosynthetic process / trichodiene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Vedula, L.S. / Cane, D.E. / Christianson, D.W. | ||||||
![]() | ![]() Title: Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase. Authors: Vedula, L.S. / Cane, D.E. / Christianson, D.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 155.3 KB | Display | ![]() |
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PDB format | ![]() | 124 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 462.9 KB | Display | ![]() |
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Full document | ![]() | 479.8 KB | Display | |
Data in XML | ![]() | 28.4 KB | Display | |
Data in CIF | ![]() | 39 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2aekC ![]() 2aelC ![]() 1jfgS 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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Unit cell |
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Components
#1: Protein | Mass: 44022.586 Da / Num. of mol.: 2 / Mutation: R304K Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-POP / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.71 Å3/Da / Density % sol: 66.83 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.9 Details: PEG 8000, Sodium HEPES, Calcium chloride, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Apr 1, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.75→60 Å / Num. obs: 30895 / % possible obs: 88.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.2 % / Biso Wilson estimate: 76 Å2 / Rmerge(I) obs: 0.138 / Net I/σ(I): 13 |
Reflection shell | Resolution: 2.75→2.85 Å / Redundancy: 5.7 % / Rmerge(I) obs: 0.554 / Mean I/σ(I) obs: 3.2 / Num. unique all: 3126 / % possible all: 91.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1JFG Resolution: 2.75→60 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: RESIDUES IN PDB ENTRY THAT HAVE OCCUPANCY ZERO WERE REFINED AS ALANINES. SAZ not included in the final model due to multiple conformations.
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Displacement parameters | Biso mean: 59 Å2 | |||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.75→60 Å
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Refine LS restraints |
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