BMRB Entry 53030

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53030

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Title:
NMR chemical shifts and assignments for the 15N-tyrosine-labeled YY-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol in the presence of G protein-mimicking miniGs
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, 229 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 KCYQDPGCCEFVTNRAYAIA SSIISFYIPLLIMIFVYLRV YREAKEQIRKIDRASKRKTS RVMLMREHKALKTLGIIMGV FTLCWLPFFLVNIVNVFNRD LVPKWLFVAFNWLGYANSAM NPIIYCRSPDFRKAFKRLLA FPRKADRRLHHHHHH
entity_2: GIEKQLQKDKQVYRATHRLL LLGADNSGKSTIVKQMRILH GGSGGSGGTSGIFETKFQVD KVNFHMFDVGGQRDERRKWI QCFNDVTAIIFVVDSSDYNR LQEALNDFKSIWNNRWLRTI SVILFLNKQDLLAEKVLAGK SKIEDYFPEFARYTTPEDAT PEPGEDPRVTRAKYFIRDEF LRISTASGDGRHYCYPHFTC AVDTENARRIFNDCRDIIQR MHLRQYELL

Data sets:
Data typeCount
15N chemical shifts9
1H chemical shifts9

Time Domain Data

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1YY-b1-adrenergic receptor in complex with isoprenaline, conformer 11
2MiniGs2
3Carvedilol3

Entities:

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

YY refers to the native residues Y227 (5x58) and Y343 (7x53), which were reintroduced from the fully thermostabilized Turkey_TS-B1AR construct.

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   LYSCYSTYRGLNASPPROGLYCYSCYSGLU
18   PHEVALTHRASNARGALATYRALAILEALA
19   SERSERILEILESERPHETYRILEPROLEU
20   LEUILEMETILEPHEVALTYRLEUARGVAL
21   TYRARGGLUALALYSGLUGLNILEARGLYS
22   ILEASPARGALASERLYSARGLYSTHRSER
23   ARGVALMETLEUMETARGGLUHISLYSALA
24   LEULYSTHRLEUGLYILEILEMETGLYVAL
25   PHETHRLEUCYSTRPLEUPROPHEPHELEU
26   VALASNILEVALASNVALPHEASNARGASP
27   LEUVALPROLYSTRPLEUPHEVALALAPHE
28   ASNTRPLEUGLYTYRALAASNSERALAMET
29   ASNPROILEILETYRCYSARGSERPROASP
30   PHEARGLYSALAPHELYSARGLEULEUALA
31   PHEPROARGLYSALAASPARGARGLEUHIS
32   HISHISHISHISHIS

Entity 2, MiniGs 229 residues - Formula weight is not available

1   GLYILEGLULYSGLNLEUGLNLYSASPLYS
2   GLNVALTYRARGALATHRHISARGLEULEU
3   LEULEUGLYALAASPASNSERGLYLYSSER
4   THRILEVALLYSGLNMETARGILELEUHIS
5   GLYGLYSERGLYGLYSERGLYGLYTHRSER
6   GLYILEPHEGLUTHRLYSPHEGLNVALASP
7   LYSVALASNPHEHISMETPHEASPVALGLY
8   GLYGLNARGASPGLUARGARGLYSTRPILE
9   GLNCYSPHEASNASPVALTHRALAILEILE
10   PHEVALVALASPSERSERASPTYRASNARG
11   LEUGLNGLUALALEUASNASPPHELYSSER
12   ILETRPASNASNARGTRPLEUARGTHRILE
13   SERVALILELEUPHELEUASNLYSGLNASP
14   LEULEUALAGLULYSVALLEUALAGLYLYS
15   SERLYSILEGLUASPTYRPHEPROGLUPHE
16   ALAARGTYRTHRTHRPROGLUASPALATHR
17   PROGLUPROGLYGLUASPPROARGVALTHR
18   ARGALALYSTYRPHEILEARGASPGLUPHE
19   LEUARGILESERTHRALASERGLYASPGLY
20   ARGHISTYRCYSTYRPROHISPHETHRCYS
21   ALAVALASPTHRGLUASNALAARGARGILE
22   PHEASNASPCYSARGASPILEILEGLNARG
23   METHISLEUARGGLNTYRGLULEULEU

Entity 3, Carvedilol - C24 H26 N2 O4 - 406.474 Da.

1   CVD

Samples:

sample_1: Turkey B1AR, [U-15N]-Tyr, 60 uM; Carvedilol 1 mM; TRIS 20 mM; sodium chloride 100 mM; n-Decyl-b-D-maltoside 65 mM; ascorbate 20 mM; sodium azide 0.02%; D2O 5%; MiniGs 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 900 MHz

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