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- PDB-3x1m: Crystal structure of Phosphopantetheine adenylyltransferase/PPAT ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3x1m | ||||||
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Title | Crystal structure of Phosphopantetheine adenylyltransferase/PPAT from Pseudomonas aeruginosa with CoA | ||||||
![]() | Phosphopantetheine adenylyltransferase | ||||||
![]() | TRANSFERASE / Rossmann Fold Transferase | ||||||
Function / homology | ![]() [citrate (pro-3S)-lyase] ligase activity / pantetheine-phosphate adenylyltransferase / pantetheine-phosphate adenylyltransferase activity / coenzyme A biosynthetic process / ATP binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chatterjee, R. / Datta, S. | ||||||
![]() | ![]() Title: Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Authors: Chatterjee, R. / Mondal, A. / Basu, A. / Datta, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 112.4 KB | Display | ![]() |
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PDB format | ![]() | 88.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.3 MB | Display | ![]() |
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Full document | ![]() | 1.3 MB | Display | |
Data in XML | ![]() | 25.4 KB | Display | |
Data in CIF | ![]() | 31.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3x1jC ![]() 3x1kC ![]() 4rukC ![]() 1h1tS C: citing same article ( S: Starting model for refinement |
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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
-Protein , 1 types, 3 molecules ABC
#1: Protein | Mass: 17795.473 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: A3LHH1, UniProt: A0A0X1KGP2*PLUS, pantetheine-phosphate adenylyltransferase |
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-Non-polymers , 6 types, 102 molecules ![](data/chem/img/COA.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-DMS / #4: Chemical | ChemComp-ACT / #5: Chemical | #6: Chemical | ChemComp-FMT / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.65 Å3/Da / Density % sol: 53.65 % |
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Crystal grow | Temperature: 295 K / pH: 7.2 Details: 16% PEG4000, 0.1M HEPES, 200mM Sodium acetate, 5% Isopropanol, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 9, 2014 |
Radiation | Monochromator: SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9748 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→45.25 Å / Num. obs: 20201 / % possible obs: 99 % / Observed criterion σ(I): 1.8 |
Reflection shell | Resolution: 2.5→45.33 Å / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1H1T Resolution: 2.5→45.25 Å / SU ML: 0.36 / σ(F): 1.36 / Phase error: 25.65 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→45.25 Å
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Refine LS restraints |
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LS refinement shell |
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