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Open data
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Basic information
Entry | Database: PDB / ID: 3f3a | ||||||
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Title | Crystal Structure of LeuT bound to L-Tryptophan and Sodium | ||||||
![]() | Transporter | ||||||
![]() | TRANSPORT PROTEIN / SLC6 / NSS / transmembrane / sodium-coupled / transporter / Symport | ||||||
Function / homology | ![]() nitrogen compound transport / sodium ion transmembrane transport / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Singh, S.K. / Piscitelli, C.L. / Yamashita, A. / Gouaux, E. | ||||||
![]() | ![]() Title: A competitive inhibitor traps LeuT in an open-to-out conformation. Authors: Singh, S.K. / Piscitelli, C.L. / Yamashita, A. / Gouaux, 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 | ![]() | 119.9 KB | Display | ![]() |
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PDB format | ![]() | 92 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 23 KB | Display | |
Data in CIF | ![]() | 31.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3f3cC ![]() 3f3dC ![]() 3f3eC ![]() 3f48C ![]() 3f4iC ![]() 3f4jC ![]() 2a65S 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 on special symmetry positions |
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Components
-Protein / Sugars , 2 types, 8 molecules A![](data/chem/img/BOG.gif)
![](data/chem/img/BOG.gif)
#1: Protein | Mass: 58077.438 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#3: Sugar | ChemComp-BOG / |
-Non-polymers , 4 types, 108 molecules ![](data/chem/img/TRP.gif)
![](data/chem/img/C14.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/C14.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-TRP / #4: Chemical | ChemComp-C14 / | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.67 Å3/Da / Density % sol: 53.91 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 0.1M HEPES, 0.4M NaCl, 17-22% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 13, 2007 |
Radiation | Monochromator: Double Crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9796 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. obs: 41152 / % possible obs: 97.4 % / Redundancy: 2.6 % / Biso Wilson estimate: 31.79 Å2 / Rmerge(I) obs: 0.053 / Net I/σ(I): 11.1 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.577 / Mean I/σ(I) obs: 1.1 / Num. unique all: 3834 / % possible all: 90.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB Entry 2A65 Resolution: 2→48.232 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.35 / 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 / Bsol: 50 Å2 / ksol: 0.308 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.97 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→48.232 Å
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Refine LS restraints |
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LS refinement shell |
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