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Yorodumi- EMDB-19845: Outward-open structure of human dopamine transporter bound to cocaine -
+Open data
-Basic information
Entry | Database: EMDB / ID: EMD-19845 | |||||||||||||||||||||
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Title | Outward-open structure of human dopamine transporter bound to cocaine | |||||||||||||||||||||
Map data | MAP SHARP | |||||||||||||||||||||
Sample |
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Keywords | neurotransmitter/sodium symporters / monoamine transporter / dopamine transporter / SLC6 / MEMBRANE PROTEIN | |||||||||||||||||||||
Function / homology | Function and homology information Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS) / Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS) / Dopamine clearance from the synaptic cleft / amine binding / adenohypophysis development / dopamine uptake / hyaloid vascular plexus regression / dopamine binding / dopamine:sodium symporter activity / norepinephrine:sodium symporter activity ...Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS) / Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS) / Dopamine clearance from the synaptic cleft / amine binding / adenohypophysis development / dopamine uptake / hyaloid vascular plexus regression / dopamine binding / dopamine:sodium symporter activity / norepinephrine:sodium symporter activity / norepinephrine transport / neurotransmitter transmembrane transporter activity / regulation of dopamine metabolic process / dopaminergic synapse / dopamine transport / monoamine transmembrane transporter activity / Na+/Cl- dependent neurotransmitter transporters / monoamine transport / flotillin complex / dopamine catabolic process / positive regulation of multicellular organism growth / neurotransmitter transport / response to iron ion / dopamine biosynthetic process / dopamine uptake involved in synaptic transmission / amino acid transport / heterocyclic compound binding / neuronal cell body membrane / sodium ion transmembrane transport / prepulse inhibition / axon terminus / response to cAMP / lactation / response to cocaine / protein phosphatase 2A binding / locomotory behavior / response to nicotine / cognition / sensory perception of smell / presynaptic membrane / postsynaptic membrane / response to ethanol / protease binding / response to xenobiotic stimulus / neuron projection / membrane raft / axon / signaling receptor binding / neuronal cell body / protein-containing complex binding / cell surface / membrane / metal ion binding / plasma membrane / cytoplasm Similarity search - Function | |||||||||||||||||||||
Biological species | Homo sapiens (human) | |||||||||||||||||||||
Method | single particle reconstruction / cryo EM / Resolution: 2.66 Å | |||||||||||||||||||||
Authors | Nielsen JC / Salomon K / Kalenderoglou IE / Bargmeyer S / Pape T / Shahsavar A / Loland CJ | |||||||||||||||||||||
Funding support | Denmark, European Union, 6 items
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Citation | Journal: To Be Published Title: The molecular basis for cocaine binding to the human dopamine transporter Authors: Nielsen JC / Salomon K / Kalenderoglou IE / Bargmeyer S / Pape T / Shahsavar A / Loland CJ | |||||||||||||||||||||
History |
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-Structure visualization
Supplemental images |
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-Downloads & links
-EMDB archive
Map data | emd_19845.map.gz | 157 MB | EMDB map data format | |
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Header (meta data) | emd-19845-v30.xml emd-19845.xml | 21.3 KB 21.3 KB | Display Display | EMDB header |
FSC (resolution estimation) | emd_19845_fsc.xml | 11.6 KB | Display | FSC data file |
Images | emd_19845.png | 81.8 KB | ||
Masks | emd_19845_msk_1.map | 166.4 MB | Mask map | |
Filedesc metadata | emd-19845.cif.gz | 6.4 KB | ||
Others | emd_19845_additional_1.map.gz emd_19845_half_map_1.map.gz emd_19845_half_map_2.map.gz | 82.5 MB 154.4 MB 154.4 MB | ||
Archive directory | http://ftp.pdbj.org/pub/emdb/structures/EMD-19845 ftp://ftp.pdbj.org/pub/emdb/structures/EMD-19845 | HTTPS FTP |
-Validation report
Summary document | emd_19845_validation.pdf.gz | 962.3 KB | Display | EMDB validaton report |
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Full document | emd_19845_full_validation.pdf.gz | 961.9 KB | Display | |
Data in XML | emd_19845_validation.xml.gz | 20.5 KB | Display | |
Data in CIF | emd_19845_validation.cif.gz | 26.4 KB | Display | |
Arichive directory | https://ftp.pdbj.org/pub/emdb/validation_reports/EMD-19845 ftp://ftp.pdbj.org/pub/emdb/validation_reports/EMD-19845 | HTTPS FTP |
-Related structure data
Related structure data | 9eo4MC M: atomic model generated by this map C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
EMDB pages | EMDB (EBI/PDBe) / EMDataResource |
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Related items in Molecule of the Month |
-Map
File | Download / File: emd_19845.map.gz / Format: CCP4 / Size: 166.4 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) | ||||||||||||||||||||
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Annotation | MAP SHARP | ||||||||||||||||||||
Voxel size | X=Y=Z: 0.725 Å | ||||||||||||||||||||
Density |
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Symmetry | Space group: 1 | ||||||||||||||||||||
Details | EMDB XML:
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-Supplemental data
-Mask #1
File | emd_19845_msk_1.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
-Additional map: EM MAP
File | emd_19845_additional_1.map | ||||||||||||
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Annotation | EM MAP | ||||||||||||
Projections & Slices |
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Density Histograms |
-Half map: HALF MAP B
File | emd_19845_half_map_1.map | ||||||||||||
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Annotation | HALF MAP B | ||||||||||||
Projections & Slices |
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Density Histograms |
-Half map: HALF MAP A
File | emd_19845_half_map_2.map | ||||||||||||
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Annotation | HALF MAP A | ||||||||||||
Projections & Slices |
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Density Histograms |
-Sample components
-Entire : Human dopamine transporter bound to cocaine
Entire | Name: Human dopamine transporter bound to cocaine |
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Components |
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-Supramolecule #1: Human dopamine transporter bound to cocaine
Supramolecule | Name: Human dopamine transporter bound to cocaine / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1 |
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Source (natural) | Organism: Homo sapiens (human) |
Molecular weight | Theoretical: 720 KDa |
-Macromolecule #1: Sodium-dependent dopamine transporter
Macromolecule | Name: Sodium-dependent dopamine transporter / type: protein_or_peptide / ID: 1 / Details: triple tandem GGGS linker and Twin-Strep tag / Number of copies: 1 / Enantiomer: LEVO |
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Source (natural) | Organism: Homo sapiens (human) |
Molecular weight | Theoretical: 72.209281 KDa |
Recombinant expression | Organism: Homo sapiens (human) |
Sequence | String: MSKSKCSVGL MSSVVAPAKE PNAVGPKEVE LILVKEQNGV QLTSSTLTNP RQSPVEAQDR ETWGKKIDFL LSVIGFAVDL ANVWRFPYL CYKNGGGAFL VPYLLFMVIA GMPLFYMELA LGQFNREGAA GVWKICPILK GVGFTVILIS LYVGFFYNVI I AWALHYLF ...String: MSKSKCSVGL MSSVVAPAKE PNAVGPKEVE LILVKEQNGV QLTSSTLTNP RQSPVEAQDR ETWGKKIDFL LSVIGFAVDL ANVWRFPYL CYKNGGGAFL VPYLLFMVIA GMPLFYMELA LGQFNREGAA GVWKICPILK GVGFTVILIS LYVGFFYNVI I AWALHYLF SSFTTELPWI HCNNSWNSPN CSDAHPGDSS GDSSGLNDTF GTTPAAEYFE RGVLHLHQSH GIDDLGPPRW QL TACLVLV IVLLYFSLWK GVKTSGKVVW ITATMPYVVL TALLLRGVTL PGAIDGIRAY LSVDFYRLCE ASVWIDAATQ VCF SLGVGF GVLIAFSSYN KFTNNCYRDA IVTTSINSLT SFSSGFVVFS FLGYMAQKHS VPIGDVAKDG PGLIFIIYPE AIAT LPLSS AWAVVFFIML LTLGIDSAMG GMESVITGLI DEFQLLHRHR ELFTLFIVLA TFLLSLFCVT NGGIYVFTLL DHFAA GTSI LFGVLIEAIG VAWFYGVGQF SDDIQQMTGQ RPSLYWRLCW KLVSPCFLLF VVVVSIVTFR PPHYGAYIFP DWANAL GWV IATSSMAMVP IYAAYKFCSL PGSFREKLAY AIAPEKDREL VDRGEVRQFT LRHWLKVGGG SGGGSGGSAW SHPQFEK GG GSGGGSGGSA WSHPQFEK UniProtKB: Sodium-dependent dopamine transporter |
-Macromolecule #2: CHOLESTEROL
Macromolecule | Name: CHOLESTEROL / type: ligand / ID: 2 / Number of copies: 3 / Formula: CLR |
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Molecular weight | Theoretical: 386.654 Da |
Chemical component information | ChemComp-CLR: |
-Macromolecule #3: CHOLESTEROL HEMISUCCINATE
Macromolecule | Name: CHOLESTEROL HEMISUCCINATE / type: ligand / ID: 3 / Number of copies: 1 / Formula: Y01 |
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Molecular weight | Theoretical: 486.726 Da |
Chemical component information | ChemComp-Y01: |
-Macromolecule #4: SODIUM ION
Macromolecule | Name: SODIUM ION / type: ligand / ID: 4 / Number of copies: 1 |
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Molecular weight | Theoretical: 22.99 Da |
-Macromolecule #5: CHLORIDE ION
Macromolecule | Name: CHLORIDE ION / type: ligand / ID: 5 / Number of copies: 1 / Formula: CL |
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Molecular weight | Theoretical: 35.453 Da |
-Macromolecule #6: COCAINE
Macromolecule | Name: COCAINE / type: ligand / ID: 6 / Number of copies: 1 / Formula: COC |
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Molecular weight | Theoretical: 303.353 Da |
Chemical component information | ChemComp-COC: |
-Macromolecule #7: water
Macromolecule | Name: water / type: ligand / ID: 7 / Number of copies: 4 / Formula: HOH |
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Molecular weight | Theoretical: 18.015 Da |
Chemical component information | ChemComp-HOH: |
-Experimental details
-Structure determination
Method | cryo EM |
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Processing | single particle reconstruction |
Aggregation state | particle |
-Sample preparation
Buffer | pH: 8 |
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Grid | Model: UltrAuFoil R1.2/1.3 / Material: GOLD / Mesh: 300 / Pretreatment - Type: GLOW DISCHARGE / Pretreatment - Time: 30 sec. / Pretreatment - Pressure: 0.0001 kPa |
Vitrification | Cryogen name: ETHANE / Chamber humidity: 100 % / Chamber temperature: 277 K / Instrument: FEI VITROBOT MARK IV |
-Electron microscopy
Microscope | FEI TITAN KRIOS |
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Specialist optics | Energy filter - Name: TFS Selectris / Energy filter - Slit width: 5 eV |
Image recording | Film or detector model: FEI FALCON IV (4k x 4k) / Number grids imaged: 1 / Number real images: 25808 / Average exposure time: 3.27 sec. / Average electron dose: 60.0 e/Å2 |
Electron beam | Acceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN |
Electron optics | C2 aperture diameter: 50.0 µm / Calibrated magnification: 170700 / Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Cs: 2.7 mm / Nominal defocus max: 1.8 µm / Nominal defocus min: 0.6 µm / Nominal magnification: 165000 |
Sample stage | Specimen holder model: FEI TITAN KRIOS AUTOGRID HOLDER / Cooling holder cryogen: NITROGEN |
Experimental equipment | Model: Titan Krios / Image courtesy: FEI Company |