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- EMDB-40915: Cryo-EM structure of cinacalcet-bound human calcium-sensing recep... -

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Entry
Database: EMDB / ID: EMD-40915
TitleCryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
Map data
Sample
  • Complex: Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
    • Protein or peptide: x 5 types
  • Ligand: x 9 types
KeywordsFamily C GPCR / Calcium-sensing Receptor (CaSR) / Heterotrimeric G protein / Cryo-EM / Lipid Nanodiscs / Positive Allosteric Modulator / Membrane Protein / SIGNALING PROTEIN
Function / homology
Function and homology information


regulation of presynaptic membrane potential / bile acid secretion / chemosensory behavior / Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion / Acetylcholine regulates insulin secretion / sensory perception of itch / response to fibroblast growth factor / phospholipase C-activating G protein-coupled glutamate receptor signaling pathway / cellular response to peptide / PLC beta mediated events ...regulation of presynaptic membrane potential / bile acid secretion / chemosensory behavior / Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion / Acetylcholine regulates insulin secretion / sensory perception of itch / response to fibroblast growth factor / phospholipase C-activating G protein-coupled glutamate receptor signaling pathway / cellular response to peptide / PLC beta mediated events / phospholipase C-activating serotonin receptor signaling pathway / regulation of platelet activation / entrainment of circadian clock / cellular response to vitamin D / positive regulation of positive chemotaxis / Class C/3 (Metabotropic glutamate/pheromone receptors) / regulation of canonical Wnt signaling pathway / fat pad development / cellular response to hepatocyte growth factor stimulus / glutamate receptor signaling pathway / amino acid binding / branching morphogenesis of an epithelial tube / mast cell degranulation / positive regulation of calcium ion import / regulation of calcium ion transport / positive regulation of NLRP3 inflammasome complex assembly / phototransduction, visible light / positive regulation of vasoconstriction / anatomical structure morphogenesis / photoreceptor outer segment / cellular response to low-density lipoprotein particle stimulus / detection of calcium ion / postsynaptic cytosol / cellular response to acidic pH / JNK cascade / hormone-mediated signaling pathway / ossification / Turbulent (oscillatory, disturbed) flow shear stress activates signaling by PIEZO1 and integrins in endothelial cells / axon terminus / response to ischemia / chloride transmembrane transport / GTPase activator activity / neuropeptide signaling pathway / cellular response to glucose stimulus / response to prostaglandin E / G protein-coupled receptor binding / integrin binding / vasodilation / G protein-coupled receptor activity / G-protein beta/gamma-subunit complex binding / intracellular calcium ion homeostasis / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / blood coagulation / positive regulation of insulin secretion / Olfactory Signaling Pathway / Activation of the phototransduction cascade / G protein-coupled acetylcholine receptor signaling pathway / 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 / Glucagon signaling in metabolic regulation / Prostacyclin signalling through prostacyclin receptor / G beta:gamma signalling through CDC42 / Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) / G beta:gamma signalling through BTK / photoreceptor disc membrane / ADP signalling through P2Y purinoceptor 12 / Sensory perception of sweet, bitter, and umami (glutamate) taste / 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 / cellular response to catecholamine stimulus / ADP signalling through P2Y purinoceptor 1 / ADORA2B mediated anti-inflammatory cytokines production / G beta:gamma signalling through PI3Kgamma / adenylate cyclase-activating dopamine receptor signaling pathway / Cooperation of PDCL (PhLP1) and TRiC/CCT in G-protein beta folding / GPER1 signaling / cellular response to prostaglandin E stimulus / heterotrimeric G-protein complex / G alpha (12/13) signalling events / Inactivation, recovery and regulation of the phototransduction cascade / G-protein beta-subunit binding / extracellular vesicle / sensory perception of taste / Thrombin signalling through proteinase activated receptors (PARs) / signaling receptor complex adaptor activity / adenylate cyclase-activating G protein-coupled receptor signaling pathway / retina development in camera-type eye / GTPase binding / fibroblast proliferation / G protein activity / presynaptic membrane / Ca2+ pathway / nuclear membrane
Similarity search - Function
G-protein alpha subunit, group Q / GPCR, family 3, extracellular calcium-sensing receptor-related / G-protein coupled receptors family 3 signature 1. / G-protein coupled receptors family 3 signature 3. / G-protein coupled receptors family 3 signature 2. / GPCR, family 3, nine cysteines domain / GPCR, family 3, nine cysteines domain superfamily / Nine Cysteines Domain of family 3 GPCR / GPCR, family 3, conserved site / GPCR, family 3 ...G-protein alpha subunit, group Q / GPCR, family 3, extracellular calcium-sensing receptor-related / G-protein coupled receptors family 3 signature 1. / G-protein coupled receptors family 3 signature 3. / G-protein coupled receptors family 3 signature 2. / GPCR, family 3, nine cysteines domain / GPCR, family 3, nine cysteines domain superfamily / Nine Cysteines Domain of family 3 GPCR / GPCR, family 3, conserved site / GPCR, family 3 / G-protein coupled receptors family 3 profile. / GPCR family 3, C-terminal / 7 transmembrane sweet-taste receptor of 3 GCPR / Receptor, ligand binding region / Receptor family ligand binding region / Periplasmic binding protein-like I / G protein alpha subunit, helical insertion / G protein alpha subunit / Guanine nucleotide binding protein (G-protein), alpha subunit / G-protein alpha subunit / G-alpha domain profile. / G-protein, gamma subunit / G-protein gamma subunit domain profile. / G-protein gamma-like domain / G-protein gamma-like domain superfamily / GGL domain / G protein gamma subunit-like motifs / GGL domain / G protein beta WD-40 repeat protein / Guanine nucleotide-binding protein, beta subunit / G-protein, beta subunit / G-protein beta WD-40 repeat / WD40 repeat, conserved site / Trp-Asp (WD) repeats signature. / Trp-Asp (WD) repeats profile. / Trp-Asp (WD) repeats circular profile. / WD40 repeats / WD40 repeat / WD40-repeat-containing domain superfamily / WD40/YVTN repeat-like-containing domain superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
Extracellular calcium-sensing receptor / Guanine nucleotide-binding protein G(q) subunit alpha / Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 / Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
Similarity search - Component
Biological speciesHomo sapiens (human)
Methodsingle particle reconstruction / cryo EM / Resolution: 3.6 Å
AuthorsHe F / Wu C / Gao Y / Skiniotis G
Funding support United States, 1 items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease (NIH/NIDDK)5R01DK132902-02 United States
CitationJournal: Nature / Year: 2024
Title: Allosteric modulation and G-protein selectivity of the Ca-sensing receptor.
Authors: Feng He / Cheng-Guo Wu / Yang Gao / Sabrina N Rahman / Magda Zaoralová / Makaía M Papasergi-Scott / Ting-Jia Gu / Michael J Robertson / Alpay B Seven / Lingjun Li / Jesper M Mathiesen / Georgios Skiniotis /
Abstract: The calcium-sensing receptor (CaSR) is a family C G-protein-coupled receptor (GPCR) that has a central role in regulating systemic calcium homeostasis. Here we use cryo-electron microscopy and ...The calcium-sensing receptor (CaSR) is a family C G-protein-coupled receptor (GPCR) that has a central role in regulating systemic calcium homeostasis. Here we use cryo-electron microscopy and functional assays to investigate the activation of human CaSR embedded in lipid nanodiscs and its coupling to functional G versus G proteins in the presence and absence of the calcimimetic drug cinacalcet. High-resolution structures show that both G and G drive additional conformational changes in the activated CaSR dimer to stabilize a more extensive asymmetric interface of the seven-transmembrane domain (7TM) that involves key protein-lipid interactions. Selective G and G coupling by the receptor is achieved through substantial rearrangements of intracellular loop 2 and the C terminus, which contribute differentially towards the binding of the two G-protein subtypes, resulting in distinct CaSR-G-protein interfaces. The structures also reveal that natural polyamines target multiple sites on CaSR to enhance receptor activation by zipping negatively charged regions between two protomers. Furthermore, we find that the amino acid L-tryptophan, a well-known ligand of CaSR extracellular domains, occupies the 7TM bundle of the G-protein-coupled protomer at the same location as cinacalcet and other allosteric modulators. Together, these results provide a framework for G-protein activation and selectivity by CaSR, as well as its allosteric modulation by endogenous and exogenous ligands.
History
DepositionMay 29, 2023-
Header (metadata) releaseFeb 7, 2024-
Map releaseFeb 7, 2024-
UpdateOct 9, 2024-
Current statusOct 9, 2024Processing site: RCSB / Status: Released

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Structure visualization

Supplemental images

emd_40915.png

Downloads & links

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Map

FileDownload / File: emd_40915.map.gz / Format: CCP4 / Size: 421.9 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Projections & slices

Image control

Size
Brightness
Contrast
Others
AxesZ (Sec.)Y (Row.)X (Col.)
0.87 Å/pix.
x 480 pix.
= 416.496 Å		0.87 Å/pix.
x 480 pix.
= 416.496 Å		0.87 Å/pix.
x 480 pix.
= 416.496 Å

Surface

Projections

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Images are generated by Spider.

Voxel sizeX=Y=Z: 0.8677 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 1.0
Minimum - Maximum-0.49468133 - 7.746607
Average (Standard dev.)0.0480418 (±0.12560414)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions480480480
Spacing480480480
CellA=B=C: 416.496 Å
α=β=γ: 90.0 °

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Supplemental data

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Additional map: Local unsharpened refinement map of CaSR VFT and CRD domains

Fileemd_40915_additional_1.map
AnnotationLocal unsharpened refinement map of CaSR VFT and CRD domains
Projections & Slices
AxesZYX

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Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Additional map: Local unsharpened refinement map of CaSR CRD and 7TM domains

Fileemd_40915_additional_2.map
AnnotationLocal unsharpened refinement map of CaSR CRD and 7TM domains
Projections & Slices
AxesZYX

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Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Additional map: Local unsharpened refinement map of Gq

Fileemd_40915_additional_3.map
AnnotationLocal unsharpened refinement map of Gq
Projections & Slices
AxesZYX

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Sample components

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Entire : Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex i...

EntireName: Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
Components
  • Complex: Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
    • Protein or peptide: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
    • Protein or peptide: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
    • Protein or peptide: Extracellular calcium-sensing receptor
    • Protein or peptide: Extracellular calcium-sensing receptor
    • Protein or peptide: Guanine nucleotide-binding protein G(q) subunit alpha
  • Ligand: N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
  • Ligand: 2-acetamido-2-deoxy-beta-D-glucopyranose
  • Ligand: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
  • Ligand: SPERMINE
  • Ligand: CALCIUM ION
  • Ligand: TRYPTOPHAN
  • Ligand: PHOSPHATE ION
  • Ligand: CHOLESTEROL
  • Ligand: water

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Supramolecule #1: Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex i...

SupramoleculeName: Cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1-#5
Source (natural)Organism: Homo sapiens (human)

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Macromolecule #1: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1

MacromoleculeName: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 39.885484 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString: GSSGSELDQL RQEAEQLKNQ IRDARKACAD ATLSQITNNI DPVGRIQMRT RRTLRGHLAK IYAMHWGTDS RLLVSASQDG KLIIWDSYT TNKVHAIPLR SSWVMTCAYA PSGNYVACGG LDNICSIYNL KTREGNVRVS RELAGHTGYL SCCRFLDDNQ I VTSSGDTT ...String:
GSSGSELDQL RQEAEQLKNQ IRDARKACAD ATLSQITNNI DPVGRIQMRT RRTLRGHLAK IYAMHWGTDS RLLVSASQDG KLIIWDSYT TNKVHAIPLR SSWVMTCAYA PSGNYVACGG LDNICSIYNL KTREGNVRVS RELAGHTGYL SCCRFLDDNQ I VTSSGDTT CALWDIETGQ QTTTFTGHTG DVMSLSLAPD TRLFVSGACD ASAKLWDVRE GMCRQTFTGH ESDINAICFF PN GNAFATG SDDATCRLFD LRADQELMTY SHDNIICGIT SVSFSKSGRL LLAGYDDFNC NVWDALKADR AGVLAGHDNR VSC LGVTDD GMAVATGSWD SFLKIWNGSS GGGGSGGGGS SGVSGWRLFK KIS

UniProtKB: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1

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Macromolecule #2: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2

MacromoleculeName: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
type: protein_or_peptide / ID: 2 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 7.861143 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString:
MASNNTASIA QARKLVEQLK MEANIDRIKV SKAAADLMAY CEAHAKEDPL LTPVPASENP FREKKFFCAI L

UniProtKB: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2

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Macromolecule #3: Extracellular calcium-sensing receptor

MacromoleculeName: Extracellular calcium-sensing receptor / type: protein_or_peptide / ID: 3 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 123.820969 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString: DYKDDDDKAA AYGPDQRAQK KGDIILGGLF PIHFGVAAKD QDLKSRPESV ECIRYNFRGF RWLQAMIFAI EEINSSPALL PNLTLGYRI FDTCNTVSKA LEATLSFVAQ NKIDSLNLDE FCNCSEHIPS TIAVVGATGS GVSTAVANLL GLFYIPQVSY A SSSRLLSN ...String:
DYKDDDDKAA AYGPDQRAQK KGDIILGGLF PIHFGVAAKD QDLKSRPESV ECIRYNFRGF RWLQAMIFAI EEINSSPALL PNLTLGYRI FDTCNTVSKA LEATLSFVAQ NKIDSLNLDE FCNCSEHIPS TIAVVGATGS GVSTAVANLL GLFYIPQVSY A SSSRLLSN KNQFKSFLRT IPNDEHQATA MADIIEYFRW NWVGTIAADD DYGRPGIEKF REEAEERDIC IDFSELISQY SD EEEIQHV VEVIQNSTAK VIVVFSSGPD LEPLIKEIVR RNITGKIWLA SEAWASSSLI AMPQYFHVVG GTIGFALKAG QIP GFREFL KKVHPRKSVH NGFAKEFWEE TFNCHLQEGA KGPLPVDTFL RGHEESGDRF SNSSTAFRPL CTGDENISSV ETPY IDYTH LRISYNVYLA VYSIAHALQD IYTCLPGRGL FTNGSCADIK KVEAWQVLKH LRHLNFTNNM GEQVTFDECG DLVGN YSII NWHLSPEDGS IVFKEVGYYN VYAKKGERLF INEEKILWSG FSREVPFSNC SRDCLAGTRK GIIEGEPTCC FECVEC PDG EYSDETDASA CNKCPDDFWS NENHTSCIAK EIEFLSWTEP FGIALTLFAV LGIFLTAFVL GVFIKFRNTP IVKATNR EL SYLLLFSLLC CFSSSLFFIG EPQDWTCRLR QPAFGISFVL CISCILVKTN RVLLVFEAKI PTSFHRKWWG LNLQFLLV F LCTFMQIVIC VIWLYTAPPS SYRNQELEDE IIFITCHEGS LMALGFLIGY TCLLAAICFF FAFKSRKLPE NFNEAKFIT FSMLIFFIVW ISFIPAYAST YGKFVSAVEV IAILAASFGL LACIFFNKIY IILFKPSRNT IEEVRCSTAA HAFKVAARAT LRRSNVTST SVTSVNQAST SRLEGLQSEN HRLRMKITEL DKDLEEVTMQ LQDTPEKKTN SGGSVFTLED FVGDWEQTAA Y NLDQVLEQ GGVSSLLQNL AVSVTPIQRI VRSGENALKI DIHVIIPYEG LSADQMAQIE EVFKVVYPVD DHHFKVILPY GT LVIDGVT PNMLNYFGRP YEGIAVFDGK KITVTGTLWN GNKIIDERLI TPDGSMLFRV TINS

UniProtKB: Extracellular calcium-sensing receptor

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Macromolecule #4: Extracellular calcium-sensing receptor

MacromoleculeName: Extracellular calcium-sensing receptor / type: protein_or_peptide / ID: 4 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 108.023055 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString: WSHPQFEKGG GSGGGSGGSA WSHPQFEKGS AAAYGPDQRA QKKGDIILGG LFPIHFGVAA KDQDLKSRPE SVECIRYNFR GFRWLQAMI FAIEEINSSP ALLPNLTLGY RIFDTCNTVS KALEATLSFV AQNKIDSLNL DEFCNCSEHI PSTIAVVGAT G SGVSTAVA ...String:
WSHPQFEKGG GSGGGSGGSA WSHPQFEKGS AAAYGPDQRA QKKGDIILGG LFPIHFGVAA KDQDLKSRPE SVECIRYNFR GFRWLQAMI FAIEEINSSP ALLPNLTLGY RIFDTCNTVS KALEATLSFV AQNKIDSLNL DEFCNCSEHI PSTIAVVGAT G SGVSTAVA NLLGLFYIPQ VSYASSSRLL SNKNQFKSFL RTIPNDEHQA TAMADIIEYF RWNWVGTIAA DDDYGRPGIE KF REEAEER DICIDFSELI SQYSDEEEIQ HVVEVIQNST AKVIVVFSSG PDLEPLIKEI VRRNITGKIW LASEAWASSS LIA MPQYFH VVGGTIGFAL KAGQIPGFRE FLKKVHPRKS VHNGFAKEFW EETFNCHLQE GAKGPLPVDT FLRGHEESGD RFSN SSTAF RPLCTGDENI SSVETPYIDY THLRISYNVY LAVYSIAHAL QDIYTCLPGR GLFTNGSCAD IKKVEAWQVL KHLRH LNFT NNMGEQVTFD ECGDLVGNYS IINWHLSPED GSIVFKEVGY YNVYAKKGER LFINEEKILW SGFSREVPFS NCSRDC LAG TRKGIIEGEP TCCFECVECP DGEYSDETDA SACNKCPDDF WSNENHTSCI AKEIEFLSWT EPFGIALTLF AVLGIFL TA FVLGVFIKFR NTPIVKATNR ELSYLLLFSL LCCFSSSLFF IGEPQDWTCR LRQPAFGISF VLCISCILVK TNRVLLVF E AKIPTSFHRK WWGLNLQFLL VFLCTFMQIV ICVIWLYTAP PSSYRNQELE DEIIFITCHE GSLMALGFLI GYTCLLAAI CFFFAFKSRK LPENFNEAKF ITFSMLIFFI VWISFIPAYA STYGKFVSAV EVIAILAASF GLLACIFFNK IYIILFKPSR NTIEEVRCS TAAHAFKVAA RATLRRSNVT GSSTNNNEEE KSRLLEKENR ELEKIIAEKE ERVSELRHQL QSRQQLKKTN

UniProtKB: Extracellular calcium-sensing receptor

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Macromolecule #5: Guanine nucleotide-binding protein G(q) subunit alpha

MacromoleculeName: Guanine nucleotide-binding protein G(q) subunit alpha / type: protein_or_peptide / ID: 5 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 41.353078 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString: MGCTLSAEDK AAVERSKMID RNLRRDKRDA RRELKLLLLG TGESGKSTFI KQMRIIHGSG YSDEDKRGFT KLVYQNIFTA MQAMIRAMD TLKIPYKYEH NKAHAQLVRE VDVEKVSAFE NPYVDAIKSL WNDPGIQECY DRRREYQLSD STKYYLNDLD R VADPAYLP ...String:
MGCTLSAEDK AAVERSKMID RNLRRDKRDA RRELKLLLLG TGESGKSTFI KQMRIIHGSG YSDEDKRGFT KLVYQNIFTA MQAMIRAMD TLKIPYKYEH NKAHAQLVRE VDVEKVSAFE NPYVDAIKSL WNDPGIQECY DRRREYQLSD STKYYLNDLD R VADPAYLP TQQDVLRVRV PTTGIIEYPF DLQSVIFRMV DVGGQRSERR KWIHCFENVT SIMFLVALSE YDQVLVESDN EN RMEESKA LFRTIITYPW FQNSSVILFL NKKDLLEEKI MYSHLVDYFP EYDGPQRDAQ AAREFILKMF VDLNPDSDKI IYS HFTCAT DTENIRFVFA AVKDTILQLN LKEYNLV

UniProtKB: Guanine nucleotide-binding protein G(q) subunit alpha

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Macromolecule #7: N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]pr...

MacromoleculeName: N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
type: ligand / ID: 7 / Number of copies: 2 / Formula: YP4
Molecular weightTheoretical: 357.412 Da
Chemical component information

ChemComp-YP4:
N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

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Macromolecule #8: 2-acetamido-2-deoxy-beta-D-glucopyranose

MacromoleculeName: 2-acetamido-2-deoxy-beta-D-glucopyranose / type: ligand / ID: 8 / Number of copies: 4 / Formula: NAG
Molecular weightTheoretical: 221.208 Da
Chemical component information

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

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Macromolecule #9: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

MacromoleculeName: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE / type: ligand / ID: 9 / Number of copies: 1 / Formula: PCW
Molecular weightTheoretical: 787.121 Da
Chemical component information

ChemComp-PCW:
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE / DOPC, phospholipid*YM

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Macromolecule #10: SPERMINE

MacromoleculeName: SPERMINE / type: ligand / ID: 10 / Number of copies: 3 / Formula: SPM
Molecular weightTheoretical: 202.34 Da
Chemical component information

ChemComp-SPM:
SPERMINE

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Macromolecule #11: CALCIUM ION

MacromoleculeName: CALCIUM ION / type: ligand / ID: 11 / Number of copies: 3 / Formula: CA
Molecular weightTheoretical: 40.078 Da

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Macromolecule #12: TRYPTOPHAN

MacromoleculeName: TRYPTOPHAN / type: ligand / ID: 12 / Number of copies: 2 / Formula: TRP
Molecular weightTheoretical: 204.225 Da
Chemical component information

ChemComp-TRP:
TRYPTOPHAN

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Macromolecule #13: PHOSPHATE ION

MacromoleculeName: PHOSPHATE ION / type: ligand / ID: 13 / Number of copies: 2 / Formula: PO4
Molecular weightTheoretical: 94.971 Da
Chemical component information

ChemComp-PO4:
PHOSPHATE ION

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Macromolecule #14: CHOLESTEROL

MacromoleculeName: CHOLESTEROL / type: ligand / ID: 14 / Number of copies: 1 / Formula: CLR
Molecular weightTheoretical: 386.654 Da
Chemical component information

ChemComp-CLR:
CHOLESTEROL

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Macromolecule #15: water

MacromoleculeName: water / type: ligand / ID: 15 / Number of copies: 1 / Formula: HOH
Molecular weightTheoretical: 18.015 Da
Chemical component information

ChemComp-HOH:
WATER

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Experimental details

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Structure determination

Methodcryo EM
Processingsingle particle reconstruction
Aggregation stateparticle

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Sample preparation

BufferpH: 7.5
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeFEI TITAN KRIOS
Image recordingFilm or detector model: GATAN K3 BIOQUANTUM (6k x 4k) / Average electron dose: 50.0 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Nominal defocus max: 1.5 µm / Nominal defocus min: 0.5 µm
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

Startup modelType of model: OTHER
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.6 Å / Resolution method: FSC 0.143 CUT-OFF / Number images used: 89192
Initial angle assignmentType: MAXIMUM LIKELIHOOD
Final angle assignmentType: MAXIMUM LIKELIHOOD

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  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
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  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

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Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

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