+Open data
-Basic information
Entry | Database: PDB / ID: 3gwv | ||||||
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Title | Leucine transporter LeuT in complex with R-fluoxetine | ||||||
Components | Transporter | ||||||
Keywords | TRANSPORT PROTEIN / NEUROTRANSMITTER / TRANSMEMBRANE TRANSPORT / INTEGRAL MEMBRANE PROTEIN / ANTIDEPRESSANT / NSS / Symport / Transmembrane / Transport | ||||||
Function / homology | Function and homology information nitrogen compound transport / sodium ion transmembrane transport / plasma membrane Similarity search - Function | ||||||
Biological species | Aquifex aeolicus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.35 Å | ||||||
Authors | Zhou, Z. / Zhen, J. / Karpowich, N.K. / Law, C.J. / Reith, M.E.A. / Wang, D.N. | ||||||
Citation | Journal: Nat.Struct.Mol.Biol. / Year: 2009 Title: Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures. Authors: Zhou, Z. / Zhen, J. / Karpowich, N.K. / Law, C.J. / Reith, M.E. / Wang, D.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3gwv.cif.gz | 111.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3gwv.ent.gz | 85.3 KB | Display | PDB format |
PDBx/mmJSON format | 3gwv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3gwv_validation.pdf.gz | 730.3 KB | Display | wwPDB validaton report |
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Full document | 3gwv_full_validation.pdf.gz | 734.7 KB | Display | |
Data in XML | 3gwv_validation.xml.gz | 19.4 KB | Display | |
Data in CIF | 3gwv_validation.cif.gz | 26.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gw/3gwv ftp://data.pdbj.org/pub/pdb/validation_reports/gw/3gwv | HTTPS FTP |
-Related structure data
Related structure data | 3gwuC 3gwwC 2a65S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 57610.836 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aquifex aeolicus (bacteria) / Strain: VF5 / Gene: aq_2077, LeuT, snf / Plasmid: pBAD / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)PLYSS / References: UniProt: O67854 | ||||
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#2: Chemical | ChemComp-LEU / | ||||
#3: Chemical | #4: Chemical | ChemComp-RFX / ( | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.26 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 7 Details: PEG550 MME, NACL, pH 7, vapor diffusion, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.0809 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 20, 2007 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.0809 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.35→47.5 Å / Num. obs: 23383 / % possible obs: 91.9 % / Redundancy: 3 % / Rmerge(I) obs: 0.064 / Χ2: 0.834 / Net I/σ(I): 15.564 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2A65 Resolution: 2.35→40 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.924 / Occupancy max: 1 / Occupancy min: 1 / SU B: 6.38 / SU ML: 0.164 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.41 / ESU R Free: 0.245 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 76.21 Å2 / Biso mean: 38.408 Å2 / Biso min: 16.15 Å2
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Refinement step | Cycle: LAST / Resolution: 2.35→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.35→2.411 Å / Total num. of bins used: 20
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