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Open data
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Basic information
Entry | Database: PDB / ID: 6aft | ||||||
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Title | Proton pyrophosphatase - E301Q | ||||||
![]() | Pyrophosphate-energized vacuolar membrane proton pump | ||||||
![]() | MEMBRANE PROTEIN / Hydrolase / Proton pumping / Vigna radiata | ||||||
Function / homology | ![]() H+-exporting diphosphatase / diphosphate hydrolysis-driven proton transmembrane transporter activity / inorganic diphosphate phosphatase activity / vacuolar membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tsai, J.-Y. / Tang, K.-Z. / Sun, Y.-J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation. Authors: Tsai, J.Y. / Tang, K.Z. / Li, K.M. / Hsu, B.L. / Chiang, Y.W. / Goldman, A. / Sun, Y.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 296.2 KB | Display | ![]() |
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PDB format | ![]() | 236.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 54.7 KB | Display | |
Data in CIF | ![]() | 77.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6afsC ![]() 6afuC ![]() 6afvC ![]() 6afwC ![]() 6afxC ![]() 6afyC ![]() 6afzC ![]() 4a01S 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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 80091.844 Da / Num. of mol.: 2 / Mutation: E301Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 525 molecules ![](data/chem/img/PO4.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/1PG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/1PG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-PO4 / #3: Chemical | ChemComp-MG / #4: Chemical | #5: Chemical | ChemComp-1PG / #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.88 Å3/Da / Density % sol: 68.26 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 100 mM MES (pH 6.5), 250 mM MgCl2, 23% (w/v) PEG2KMME and 10% glycerol |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Oct 6, 2017 |
Radiation | Monochromator: LN2-Cooled Fixed-Exit Double Crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4917→30 Å / Num. obs: 81653 / % possible obs: 96.1 % / Redundancy: 3.6 % / Biso Wilson estimate: 39.26 Å2 / Rmerge(I) obs: 0.075 / Rpim(I) all: 0.028 / Rrim(I) all: 0.076 / Χ2: 0.952 / Net I/σ(I): 16.3 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.267 / Num. unique obs: 9952 / CC1/2: 0.885 / Rpim(I) all: 0.288 / Rrim(I) all: 0.765 / Χ2: 0.836 / % possible all: 81.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4A01 Resolution: 2.492→29.789 Å / SU ML: 0.23 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 24.58
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 79.86 Å2 / Biso mean: 20.44 Å2 / Biso min: 3.86 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.492→29.789 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14
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