BMRB Entry 53033

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53033

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NMR-STAR v3 text file.
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Title:
NMR chemical shifts and assignments for the 15N-valine labeled TS-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol, arrestin2, and the phosphopeptide V2Rpp.
Deposition date:
2025-04-14
Original release date:
2025-04-28
Authors:
Petrovic, Ivana; Tatli, Meltem; Desai, Samit; Grahl, Anne; Ni, Dongchun; Stahlberg, Henning; Spang, Anne; Grzesiek, Stephan; Abiko, Layara
Citation:

Citation: Petrovic, Ivana; Tatli, Meltem; Desai, Samit; Grahl, Anne; Ni, Dongchun; Stahlberg, Henning; Spang, Anne; Grzesiek, Stephan; Abiko, Layara. "Arrestin recognizes GPCRs independently of the receptor state"  Proc. Natl. Acad. Sci. U.S.A. 122, e2501487122-e2501487122 (2025).
PubMed: 40372433

Assembly members:

Assembly members:
entity_1, polymer, 315 residues, Formula weight is not available
entity_2, polymer, 393 residues, Formula weight is not available
entity_3, polymer, 29 residues, Formula weight is not available
entity_CVD, non-polymer, 406.474 Da.

Natural source:

Natural source:   Common Name: turkey   Taxonomy ID: 9103   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Meleagris gallopavo

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Spodoptera frugiperda   Vector: pFastBac1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGAELLSQQWEAGMSLLMAL VVLLIVAGNVLVIAAIGSTQ RLQTLTNLFITSLACADLVV GLLVVPFGATLVVRGTWLWG SFLCELWTSLDVLCVTASVE TLCVIAIDRYLAITSPFRYQ SLMTRARAKVIICTVWAISA LVSFLPIMMHWWRDEDPQAL KCYQDPGCCCFVTNRAYAIA SSIISFYIPLLIMIFVALRV YREAKEQIRKIDRASKRKTS RVMLMREHKALKTLGIIMGV FTLCWLPFFLVNIVNVFNRD LVPKWLFVAFNWLGYANSAM NPIILCRSPDFRKAFKRLLA FPRKADRRLHHHHHH
entity_2: MGDKGTRVFKKASPNGKLTV YLGKRDFVDHIDLVDPVDGV VLVDPEYLKERRVYVTLTCA FRYGREDLDVLGLTFRKDLF VANVQSFPPAPEDKKPLTRL QERLIKKLGEHAYPFTFEIP PNLPCSVTLQPGPEDTGKAC GVDYEVKAFLAENLEEKIHK RNSVRLVIRKVQYAPERPGP QPTAETTRQFLMSDKPLHLE ASLDKEIYYHGEPISVNVHV TNNTNKTVKKIKISVRQYAD IVLFNTAQYKVPVAMEEADD TVAPSSTFSKVYTLTPFLAN NREKRGLALDGKLKHEDTNL ASSTLLREGANREILGIIVS YKVKVKLVVSRGGLLGDLAS SDVAVELPFTLMHPKPKEEP PHREVPENETPVDTNLIELD TNDDDIVFEDFAR
entity_3: ARGRTPPSLGPQDESCTTAS SSLAKDTSS

Data sets:
Data typeCount
15N chemical shifts13
1H chemical shifts13

Time Domain Data

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1TS-b1-adrenergic receptor in complex with isoprenaline, conformer 11
2arrestin22
3V2Rpp3
4carvedilol4

Entities:

Entity 1, TS-b1-adrenergic receptor in complex with isoprenaline, conformer 1 315 residues - Formula weight is not available

1   METGLYALAGLULEULEUSERGLNGLNTRP
2   GLUALAGLYMETSERLEULEUMETALALEU
3   VALVALLEULEUILEVALALAGLYASNVAL
4   LEUVALILEALAALAILEGLYSERTHRGLN
5   ARGLEUGLNTHRLEUTHRASNLEUPHEILE
6   THRSERLEUALACYSALAASPLEUVALVAL
7   GLYLEULEUVALVALPROPHEGLYALATHR
8   LEUVALVALARGGLYTHRTRPLEUTRPGLY
9   SERPHELEUCYSGLULEUTRPTHRSERLEU
10   ASPVALLEUCYSVALTHRALASERVALGLU
11   THRLEUCYSVALILEALAILEASPARGTYR
12   LEUALAILETHRSERPROPHEARGTYRGLN
13   SERLEUMETTHRARGALAARGALALYSVAL
14   ILEILECYSTHRVALTRPALAILESERALA
15   LEUVALSERPHELEUPROILEMETMETHIS
16   TRPTRPARGASPGLUASPPROGLNALALEU
17   LYSCYSTYRGLNASPPROGLYCYSCYSCYS
18   PHEVALTHRASNARGALATYRALAILEALA
19   SERSERILEILESERPHETYRILEPROLEU
20   LEUILEMETILEPHEVALALALEUARGVAL
21   TYRARGGLUALALYSGLUGLNILEARGLYS
22   ILEASPARGALASERLYSARGLYSTHRSER
23   ARGVALMETLEUMETARGGLUHISLYSALA
24   LEULYSTHRLEUGLYILEILEMETGLYVAL
25   PHETHRLEUCYSTRPLEUPROPHEPHELEU
26   VALASNILEVALASNVALPHEASNARGASP
27   LEUVALPROLYSTRPLEUPHEVALALAPHE
28   ASNTRPLEUGLYTYRALAASNSERALAMET
29   ASNPROILEILELEUCYSARGSERPROASP
30   PHEARGLYSALAPHELYSARGLEULEUALA
31   PHEPROARGLYSALAASPARGARGLEUHIS
32   HISHISHISHISHIS

Entity 2, arrestin2 393 residues - Formula weight is not available

The construct includes residues 1-393 of Arrestin2.

1   METGLYASPLYSGLYTHRARGVALPHELYS
2   LYSALASERPROASNGLYLYSLEUTHRVAL
3   TYRLEUGLYLYSARGASPPHEVALASPHIS
4   ILEASPLEUVALASPPROVALASPGLYVAL
5   VALLEUVALASPPROGLUTYRLEULYSGLU
6   ARGARGVALTYRVALTHRLEUTHRCYSALA
7   PHEARGTYRGLYARGGLUASPLEUASPVAL
8   LEUGLYLEUTHRPHEARGLYSASPLEUPHE
9   VALALAASNVALGLNSERPHEPROPROALA
10   PROGLUASPLYSLYSPROLEUTHRARGLEU
11   GLNGLUARGLEUILELYSLYSLEUGLYGLU
12   HISALATYRPROPHETHRPHEGLUILEPRO
13   PROASNLEUPROCYSSERVALTHRLEUGLN
14   PROGLYPROGLUASPTHRGLYLYSALACYS
15   GLYVALASPTYRGLUVALLYSALAPHELEU
16   ALAGLUASNLEUGLUGLULYSILEHISLYS
17   ARGASNSERVALARGLEUVALILEARGLYS
18   VALGLNTYRALAPROGLUARGPROGLYPRO
19   GLNPROTHRALAGLUTHRTHRARGGLNPHE
20   LEUMETSERASPLYSPROLEUHISLEUGLU
21   ALASERLEUASPLYSGLUILETYRTYRHIS
22   GLYGLUPROILESERVALASNVALHISVAL
23   THRASNASNTHRASNLYSTHRVALLYSLYS
24   ILELYSILESERVALARGGLNTYRALAASP
25   ILEVALLEUPHEASNTHRALAGLNTYRLYS
26   VALPROVALALAMETGLUGLUALAASPASP
27   THRVALALAPROSERSERTHRPHESERLYS
28   VALTYRTHRLEUTHRPROPHELEUALAASN
29   ASNARGGLULYSARGGLYLEUALALEUASP
30   GLYLYSLEULYSHISGLUASPTHRASNLEU
31   ALASERSERTHRLEULEUARGGLUGLYALA
32   ASNARGGLUILELEUGLYILEILEVALSER
33   TYRLYSVALLYSVALLYSLEUVALVALSER
34   ARGGLYGLYLEULEUGLYASPLEUALASER
35   SERASPVALALAVALGLULEUPROPHETHR
36   LEUMETHISPROLYSPROLYSGLUGLUPRO
37   PROHISARGGLUVALPROGLUASNGLUTHR
38   PROVALASPTHRASNLEUILEGLULEUASP
39   THRASNASPASPASPILEVALPHEGLUASP
40   PHEALAARG

Entity 3, V2Rpp 29 residues - Formula weight is not available

This synthetic peptide corresponds to the C-terminal 29 residues of the vasopressin receptor 2 and contains eight phosphorylation sites.

1   ALAARGGLYARGTHRPROPROSERLEUGLY
2   PROGLNASPGLUSERCYSTHRTHRALASER
3   SERSERLEUALALYSASPTHRSERSER

Entity 4, carvedilol - C24 H26 N2 O4 - 406.474 Da.

1   CVD

Samples:

sample_1: Turkey B1AR, [U-15N]-Val, 200 uM; carvedilol 2 mM; TRIS 20 mM; sodium chloride 100 mM; n-Decyl-b-D-maltoside 65 mM; ascorbate 20 mM; sodium azide 0.02%; D2O 5%; arrestin2 240 uM; V2Rpp 800 uM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 304 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

NMRDraw v11.4 - chemical shift assignment, peak picking

CcpNMR v2.4.2 - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks