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Yorodumi- EMDB-21950: Cryo-EM structure of the human chemokine receptor CCR6 in complex... -
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Open data
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Basic information
| Entry | Database: EMDB / ID: EMD-21950 | |||||||||
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| Title | Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | |||||||||
Map data | Chemokine receptor CCR6 in complex with CCL20 and a Go protein | |||||||||
Sample |
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Keywords | GPCR / Chemokine / Chemokine receptor / Complex / MEMBRANE PROTEIN | |||||||||
| Function / homology | Function and homology informationisotype switching to IgA isotypes / DN3 thymocyte differentiation / thymocyte migration / positive regulation of flagellated sperm motility involved in capacitation / CCR6 chemokine receptor binding / Beta defensins / sperm principal piece / positive regulation of dendritic cell chemotaxis / regulation of T cell migration / lymphocyte migration ...isotype switching to IgA isotypes / DN3 thymocyte differentiation / thymocyte migration / positive regulation of flagellated sperm motility involved in capacitation / CCR6 chemokine receptor binding / Beta defensins / sperm principal piece / positive regulation of dendritic cell chemotaxis / regulation of T cell migration / lymphocyte migration / DN2 thymocyte differentiation / chemokine receptor activity / leukocyte migration involved in inflammatory response / C-C chemokine receptor activity / mu-type opioid receptor binding / C-C chemokine binding / corticotropin-releasing hormone receptor 1 binding / G-protein activation / Activation of the phototransduction cascade / Glucagon-type ligand receptors / Thromboxane signalling through TP receptor / Sensory perception of sweet, bitter, and umami (glutamate) taste / G beta:gamma signalling through PI3Kgamma / G beta:gamma signalling through CDC42 / Cooperation of PDCL (PhLP1) and TRiC/CCT in G-protein beta folding / Activation of G protein gated Potassium channels / Inhibition of voltage gated Ca2+ channels via Gbeta/gamma subunits / Ca2+ pathway / G alpha (z) signalling events / High laminar flow shear stress activates signaling by PIEZO1 and PECAM1:CDH5:KDR in endothelial cells / Glucagon-like Peptide-1 (GLP1) regulates insulin secretion / Vasopressin regulates renal water homeostasis via Aquaporins / Adrenaline,noradrenaline inhibits insulin secretion / ADP signalling through P2Y purinoceptor 12 / G alpha (q) signalling events / vesicle docking involved in exocytosis / chemokine activity / Chemokine receptors bind chemokines / G alpha (i) signalling events / dendritic cell chemotaxis / Thrombin signalling through proteinase activated receptors (PARs) / photoreceptor outer segment membrane / G protein-coupled dopamine receptor signaling pathway / spectrin binding / sperm plasma membrane / regulation of heart contraction / alkylglycerophosphoethanolamine phosphodiesterase activity / parallel fiber to Purkinje cell synapse / Interleukin-10 signaling / humoral immune response / photoreceptor outer segment / cellular defense response / positive regulation of T cell migration / sperm flagellum / postsynaptic modulation of chemical synaptic transmission / T cell migration / sperm midpiece / cardiac muscle cell apoptotic process / photoreceptor inner segment / adenylate cyclase regulator activity / G protein-coupled serotonin receptor binding / adenylate cyclase-inhibiting serotonin receptor signaling pathway / muscle contraction / cell chemotaxis / locomotory behavior / calcium-mediated signaling / electron transport chain / negative regulation of insulin secretion / GABA-ergic synapse / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / G-protein beta/gamma-subunit complex binding / chemotaxis / G beta:gamma signalling through PLC beta / Presynaptic function of Kainate receptors / Thromboxane signalling through TP receptor / Activation of G protein gated Potassium channels / Inhibition of voltage gated Ca2+ channels via Gbeta/gamma subunits / G-protein activation / G beta:gamma signalling through CDC42 / Prostacyclin signalling through prostacyclin receptor / Glucagon signaling in metabolic regulation / G beta:gamma signalling through BTK / ADP signalling through P2Y purinoceptor 12 / Glucagon-type ligand receptors / Adrenaline,noradrenaline inhibits insulin secretion / Vasopressin regulates renal water homeostasis via Aquaporins / Glucagon-like Peptide-1 (GLP1) regulates insulin secretion / G alpha (z) signalling events / ADP signalling through P2Y purinoceptor 1 / cellular response to catecholamine stimulus / ADORA2B mediated anti-inflammatory cytokines production / G beta:gamma signalling through PI3Kgamma / Cooperation of PDCL (PhLP1) and TRiC/CCT in G-protein beta folding / adenylate cyclase-activating dopamine receptor signaling pathway / cell-cell signaling / GPER1 signaling / G-protein beta-subunit binding / cellular response to prostaglandin E stimulus / heterotrimeric G-protein complex / signaling receptor activity Similarity search - Function | |||||||||
| Biological species | ![]() Homo sapiens (human) / ![]() | |||||||||
| Method | single particle reconstruction / cryo EM / Resolution: 3.34 Å | |||||||||
Authors | Wasilko DJ / Johnson ZL | |||||||||
Citation | Journal: Nat Commun / Year: 2020Title: Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20. Authors: David Jonathan Wasilko / Zachary Lee Johnson / Mark Ammirati / Ye Che / Matthew C Griffor / Seungil Han / Huixian Wu / ![]() Abstract: Chemokines are important protein-signaling molecules that regulate various immune responses by activating chemokine receptors which belong to the G protein-coupled receptor (GPCR) superfamily. ...Chemokines are important protein-signaling molecules that regulate various immune responses by activating chemokine receptors which belong to the G protein-coupled receptor (GPCR) superfamily. Despite the substantial progression of our structural understanding of GPCR activation by small molecule and peptide agonists, the molecular mechanism of GPCR activation by protein agonists remains unclear. Here, we present a 3.3-Å cryo-electron microscopy structure of the human chemokine receptor CCR6 bound to its endogenous ligand CCL20 and an engineered Go. CCL20 binds in a shallow extracellular pocket, making limited contact with the core 7-transmembrane (TM) bundle. The structure suggests that this mode of binding induces allosterically a rearrangement of a noncanonical toggle switch and the opening of the intracellular crevice for G protein coupling. Our results demonstrate that GPCR activation by a protein agonist does not always require substantial interactions between ligand and the 7TM core region. | |||||||||
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Structure visualization
| Movie |
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| Structure viewer | EM map: SurfView Molmil Jmol/JSmol |
| Supplemental images |
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Downloads & links
-EMDB archive
| Map data | emd_21950.map.gz | 201.9 MB | EMDB map data format | |
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| Header (meta data) | emd-21950-v30.xml emd-21950.xml | 25.8 KB 25.8 KB | Display Display | EMDB header |
| FSC (resolution estimation) | emd_21950_fsc.xml | 13.7 KB | Display | FSC data file |
| Images | emd_21950.png | 119.7 KB | ||
| Filedesc metadata | emd-21950.cif.gz | 7.7 KB | ||
| Archive directory | http://ftp.pdbj.org/pub/emdb/structures/EMD-21950 ftp://ftp.pdbj.org/pub/emdb/structures/EMD-21950 | HTTPS FTP |
-Validation report
| Summary document | emd_21950_validation.pdf.gz | 554.1 KB | Display | EMDB validaton report |
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| Full document | emd_21950_full_validation.pdf.gz | 553.7 KB | Display | |
| Data in XML | emd_21950_validation.xml.gz | 13.1 KB | Display | |
| Data in CIF | emd_21950_validation.cif.gz | 17.7 KB | Display | |
| Arichive directory | https://ftp.pdbj.org/pub/emdb/validation_reports/EMD-21950 ftp://ftp.pdbj.org/pub/emdb/validation_reports/EMD-21950 | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 6wwzMC M: atomic model generated by this map C: citing same article ( |
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| Similar structure data |
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Links
| EMDB pages | EMDB (EBI/PDBe) / EMDataResource |
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| Related items in Molecule of the Month |
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Map
| File | Download / File: emd_21950.map.gz / Format: CCP4 / Size: 216 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Annotation | Chemokine receptor CCR6 in complex with CCL20 and a Go protein | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Projections & slices | Image control
Images are generated by Spider. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Voxel size | X=Y=Z: 0.87 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Density |
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| Symmetry | Space group: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Details | EMDB XML:
CCP4 map header:
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-Supplemental data
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Sample components
+Entire : CCR6-CCL20-Go complex
+Supramolecule #1: CCR6-CCL20-Go complex
+Supramolecule #2: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,...
+Supramolecule #3: C-C motif chemokine 20, Guanine nucleotide-binding protein G(o) s...
+Supramolecule #4: scFv16
+Macromolecule #1: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
+Macromolecule #2: C-C motif chemokine 20
+Macromolecule #3: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
+Macromolecule #4: Guanine nucleotide-binding protein G(o) subunit alpha,Guanine nuc...
+Macromolecule #5: scFv16
+Macromolecule #6: C-C chemokine receptor type 6,C-C chemokine receptor type 6
-Experimental details
-Structure determination
| Method | cryo EM |
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Processing | single particle reconstruction |
| Aggregation state | particle |
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Sample preparation
| Concentration | 6.8 mg/mL | |||||||||||||||||||||
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| Buffer | pH: 7.5 Component:
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| Grid | Model: Quantifoil R1.2/1.3 / Material: GOLD / Mesh: 300 / Support film - Material: CARBON / Support film - topology: HOLEY / Pretreatment - Type: PLASMA CLEANING / Pretreatment - Time: 40 sec. | |||||||||||||||||||||
| Vitrification | Cryogen name: ETHANE / Chamber humidity: 100 % / Chamber temperature: 277.0 K / Instrument: FEI VITROBOT MARK IV |
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Electron microscopy
| Microscope | FEI TITAN KRIOS |
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| Temperature | Min: 80.0 K / Max: 100.0 K |
| Specialist optics | Energy filter - Name: GIF Quantum LS / Energy filter - Slit width: 20 eV |
| Image recording | Film or detector model: GATAN K2 SUMMIT (4k x 4k) / Detector mode: SUPER-RESOLUTION / Digitization - Dimensions - Width: 3838 pixel / Digitization - Dimensions - Height: 3710 pixel / Digitization - Frames/image: 1-50 / Number grids imaged: 1 / Number real images: 5303 / Average exposure time: 8.0 sec. / Average electron dose: 81.0 e/Å2 |
| Electron beam | Acceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN |
| Electron optics | C2 aperture diameter: 100.0 µm / Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Cs: 2.7 mm / Nominal defocus max: 2.0 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 |
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Image processing
-Atomic model buiding 1
| Initial model |
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| Refinement | Space: REAL / Protocol: RIGID BODY FIT | ||||||||
| Output model | ![]() PDB-6wwz: |
-Atomic model buiding 2
| Initial model |
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| Refinement | Space: REAL / Protocol: FLEXIBLE FIT / Overall B value: 123.52 / Target criteria: Correlation coefficient | ||||||||
| Output model | ![]() PDB-6wwz: |
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Keywords
Homo sapiens (human)
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