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- PDB-6awn: X-ray structure of the S439T human serotonin transporter complexe... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6awn | ||||||
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Title | X-ray structure of the S439T human serotonin transporter complexed with paroxetine at the central site | ||||||
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Function / homology | ![]() negative regulation of cerebellar granule cell precursor proliferation / regulation of thalamus size / Serotonin clearance from the synaptic cleft / serotonergic synapse / positive regulation of serotonin secretion / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Coleman, J.A. / Gouaux, E. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Authors: Coleman, J.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 | ![]() | 211.4 KB | Display | ![]() |
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PDB format | ![]() | 163.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6awoC ![]() 6awpC ![]() 6awqC ![]() 5i6xS 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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 61703.789 Da / Num. of mol.: 1 / Fragment: residues 76-618 / Mutation: Y110A, I291A, C554A, C580A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Antibody , 2 types, 2 molecules BC
#2: Antibody | Mass: 24853.619 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#3: Antibody | Mass: 23718.217 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
-Sugars , 2 types, 3 molecules ![](data/chem/img/NAG.gif)
![](data/chem/img/LMT.gif)
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#4: Sugar | ![]() #6: Sugar | ChemComp-LMT / | |
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-Non-polymers , 4 types, 4 molecules ![](data/chem/img/CLR.gif)
![](data/chem/img/8PR.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/8PR.gif)
![](data/chem/img/CL.gif)
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#5: Chemical | ChemComp-CLR / ![]() |
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#7: Chemical | ChemComp-8PR / ![]() |
#8: Chemical | ChemComp-CL / ![]() |
#9: Chemical | ChemComp-NA / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.34 Å3/Da / Density % sol: 63.16 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop Details: 0.1 M Tris-HCl pH 8.5, 40 mM Li2S04, 40 mM Na2S04, 34.5% PEG 400, 0.5% 6-aminohexanoic acid |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 6, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.62→53.258 Å / Num. obs: 28860 / % possible obs: 92.6 % / Redundancy: 2.6 % / Rmerge(I) obs: 0.062 / Net I/σ(I): 8.98 |
Reflection shell | Resolution: 3.62→3.73 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.416 / Mean I/σ(I) obs: 1.73 / Num. unique obs: 1529 / % possible all: 90.7 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 5i6x Resolution: 3.62→53.258 Å / SU ML: 0.59 / Cross valid method: FREE R-VALUE / σ(F): 1.42 / Phase error: 31.47 / 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: 3.62→53.258 Å
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Refine LS restraints |
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LS refinement shell |
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