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- EMDB-71783: Locally-refined structure of alpha2a adrenergic receptor in compl... -
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Open data
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Basic information
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Title | Locally-refined structure of alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and compound Z7149 | |||||||||
![]() | Local refinement map of Alpha2a adrenergic receptor bound to compound Z7149 | |||||||||
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![]() | GPCR / Complex / Drug / Small Molecule / Polypharmacology / MEMBRANE PROTEIN | |||||||||
Function / homology | ![]() negative regulation of uterine smooth muscle contraction / adenylate cyclase-inhibiting adrenergic receptor signaling pathway / alpha2-adrenergic receptor activity / Adrenaline signalling through Alpha-2 adrenergic receptor / alpha-2C adrenergic receptor binding / epinephrine binding / phospholipase C-activating adrenergic receptor signaling pathway / negative regulation of norepinephrine secretion / alpha-1B adrenergic receptor binding / negative regulation of epinephrine secretion ...negative regulation of uterine smooth muscle contraction / adenylate cyclase-inhibiting adrenergic receptor signaling pathway / alpha2-adrenergic receptor activity / Adrenaline signalling through Alpha-2 adrenergic receptor / alpha-2C adrenergic receptor binding / epinephrine binding / phospholipase C-activating adrenergic receptor signaling pathway / negative regulation of norepinephrine secretion / alpha-1B adrenergic receptor binding / negative regulation of epinephrine secretion / heterotrimeric G-protein binding / negative regulation of calcium ion-dependent exocytosis / Surfactant metabolism / positive regulation of potassium ion transport / dopaminergic synapse / thermoception / fear response / thioesterase binding / negative regulation of insulin secretion involved in cellular response to glucose stimulus / positive regulation of membrane protein ectodomain proteolysis / norepinephrine binding / Adrenoceptors / intestinal absorption / response to alcohol / positive regulation of epidermal growth factor receptor signaling pathway / response to morphine / positive regulation of wound healing / adrenergic receptor signaling pathway / negative regulation of calcium ion transport / regulation of vasoconstriction / negative regulation of lipid catabolic process / cellular response to hormone stimulus / Rho protein signal transduction / adenylate cyclase-activating adrenergic receptor signaling pathway / presynaptic active zone membrane / axon terminus / presynaptic modulation of chemical synaptic transmission / guanyl-nucleotide exchange factor activity / positive regulation of cytokine production / negative regulation of insulin secretion / female pregnancy / postsynaptic density membrane / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / GABA-ergic synapse / platelet activation / vasodilation / adenylate cyclase-activating G protein-coupled receptor signaling pathway / Adrenaline,noradrenaline inhibits insulin secretion / G alpha (z) signalling events / glucose homeostasis / actin cytoskeleton organization / G alpha (i) signalling events / basolateral plasma membrane / Ras protein signal transduction / DNA replication / receptor complex / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of MAPK cascade / positive regulation of cell migration / G protein-coupled receptor signaling pathway / protein heterodimerization activity / neuronal cell body / positive regulation of cell population proliferation / protein kinase binding / glutamatergic synapse / protein homodimerization activity / plasma membrane / cytoplasm Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | single particle reconstruction / cryo EM / Resolution: 3.29 Å | |||||||||
![]() | Srinivasan K / Wu Y / Billesboelle C / Kim JY / Manglik A / Shoichet BK | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Large library docking for polypharmacology Authors: Wu Y / Vigneron S / Huang X / Braz J / Srinivasan K / Fink E / Xu X / Huebner H / Billesboelle C / Kim JY / Wang J / Pfeiffer T / Sakamoto K / Radchenko D / Moroz Y / Irwin J / Gmeiner P / ...Authors: Wu Y / Vigneron S / Huang X / Braz J / Srinivasan K / Fink E / Xu X / Huebner H / Billesboelle C / Kim JY / Wang J / Pfeiffer T / Sakamoto K / Radchenko D / Moroz Y / Irwin J / Gmeiner P / Roth B / Basbaum A / Manglik A / Wetsel W / Shoichet BK | |||||||||
History |
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Structure visualization
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Downloads & links
-EMDB archive
Map data | ![]() | 167.8 MB | ![]() | |
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Header (meta data) | ![]() ![]() | 20.2 KB 20.2 KB | Display Display | ![]() |
FSC (resolution estimation) | ![]() | 16.5 KB | Display | ![]() |
Images | ![]() | 69.6 KB | ||
Filedesc metadata | ![]() | 6.7 KB | ||
Others | ![]() ![]() | 165.2 MB 165.3 MB | ||
Archive directory | ![]() ![]() | HTTPS FTP |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 20.1 KB | Display | |
Data in CIF | ![]() | 26.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 9pqdMC M: atomic model generated by this map C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
EMDB pages | ![]() ![]() |
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Related items in Molecule of the Month |
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Map
File | ![]() | ||||||||||||||||||||
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Annotation | Local refinement map of Alpha2a adrenergic receptor bound to compound Z7149 | ||||||||||||||||||||
Voxel size | X=Y=Z: 0.8189 Å | ||||||||||||||||||||
Density |
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Symmetry | Space group: 1 | ||||||||||||||||||||
Details | EMDB XML:
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-Supplemental data
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Sample components
-Entire : Alpha2a adrenergic receptor in complex with Go heterotrimer, scFv...
Entire | Name: Alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and compound Z7149 |
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Components |
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-Supramolecule #1: Alpha2a adrenergic receptor in complex with Go heterotrimer, scFv...
Supramolecule | Name: Alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and compound Z7149 type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1 |
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Source (natural) | Organism: ![]() |
-Macromolecule #1: Alpha-2A adrenergic receptor
Macromolecule | Name: Alpha-2A adrenergic receptor / type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO |
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Source (natural) | Organism: ![]() |
Molecular weight | Theoretical: 53.643855 KDa |
Recombinant expression | Organism: ![]() ![]() |
Sequence | String: MKTIIALSYI FCLVFADYKD DDDASIDFRQ EQPLAEGSFA PMGSLQPDAG NASWNGTEAP GGGARATPYS LQVTLTLVCL AGLLMLLTV FGNVLVIIAV FTSRALKAPQ NLFLVSLASA DILVATLVIP FSLANEVMGY WYFGKAWCEI YLALDVLFCT S SIVHLCAI ...String: MKTIIALSYI FCLVFADYKD DDDASIDFRQ EQPLAEGSFA PMGSLQPDAG NASWNGTEAP GGGARATPYS LQVTLTLVCL AGLLMLLTV FGNVLVIIAV FTSRALKAPQ NLFLVSLASA DILVATLVIP FSLANEVMGY WYFGKAWCEI YLALDVLFCT S SIVHLCAI SLDRYWSITQ AIEYNLKRTP RRIKAIIITV WVISAVISFP PLISIEKKGG GGGPQPAEPR CEINDQKWYV IS SCIGSFF APCLIMILVY VRIYQIAKRR TRVPPSRRGP DAVAAPPGGT ERRPNGLGPE RSAGPGGAEA EPLPTQLNGA PGE PAPAGP RDTDALDLEE SSSSDHAERP PGPRRPERGP RGKGKARASQ VKPGDSLPRR GPGATGIGTP AAGPGEERVG AAKA SRWRG RQNREKRFTF VLAVVIGVFV VCWFPFFFTY TLTAVGCSVP RTLFKFFFWF GYCNSSLNPV IYTIFNHDFR RAFKK ILCR GDRKRIV UniProtKB: Alpha-2A adrenergic receptor |
-Macromolecule #2: (6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
Macromolecule | Name: (6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole type: ligand / ID: 2 / Number of copies: 1 / Formula: A1CIZ |
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Molecular weight | Theoretical: 212.29 Da |
-Experimental details
-Structure determination
Method | cryo EM |
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![]() | single particle reconstruction |
Aggregation state | particle |
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Sample preparation
Buffer | pH: 7.5 Component:
Details: Buffer was supplemented with 0.01 mM compound Z7149 | ||||||||||||||||||
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Grid | Model: UltrAuFoil R1.2/1.3 / Material: GOLD / Mesh: 300 / Support film - Material: GOLD / Support film - topology: HOLEY / Pretreatment - Type: GLOW DISCHARGE / Pretreatment - Time: 30 sec. | ||||||||||||||||||
Vitrification | Cryogen name: ETHANE / Chamber humidity: 100 % / Chamber temperature: 277.15 K / Instrument: FEI VITROBOT MARK IV |
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Electron microscopy
Microscope | TFS KRIOS |
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Image recording | Film or detector model: GATAN K3 (6k x 4k) / Average exposure time: 2.0 sec. / Average electron dose: 47.7 e/Å2 |
Electron beam | Acceleration voltage: 300 kV / Electron source: ![]() |
Electron optics | Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Nominal defocus max: 1.6 µm / Nominal defocus min: 0.8 µm |
Experimental equipment | ![]() Model: Titan Krios / Image courtesy: FEI Company |