BMRB Entry 36284

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36284
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Structure of the beta2 adrenergic receptor in the full agonist bound state
Deposition date:
2019-08-21
Original release date:
2020-02-18
Authors:
Imai, S.; Shimada, I.
Citation:

Citation: Imai, S.; Yokomizo, T.; Kofuku, Y.; Shiraishi, Y.; Ueda, T.; Shimada, I.. "Structural equilibrium underlying ligand-dependent activation of beta2-adrenoreceptor"  Nat. Chem. Biol. 16, 430-439 (2020).
PubMed: 31959965

Assembly members:

Assembly members:
entity_1, polymer, 336 residues, 38557.980 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GTQQRDEVWVVGMGIVMSLI VLAIVFGNVLVITAICKFER LQTVTNYFITSLAVADLVMG LAVVPFGAAHILTKTWTFGN FWCEFWTSIDVLCVTASIWT LCVIAVDRYFAICSPFKYQS LLTKCKARVIILMVWIVSGL TSFLPIQMHWYRATHQEAIN CYAEETCCDFFTNQAYAIAS SIVSFYVPLVIMVFVYSRVF QEAKRQLQKIDKSEGRFHVQ NVSQVEQDGRTGHGHRRSSK FACKEHKALKTLGIIMGTFT LCWLPFFIVNIVHVIQDNLI RKEVYILLNWIGYVNSGFNP LIYSRSPDFRCAFQELLAAR RSSVKAHHHHHHHHHH

Data sets:
Data typeCount
15N chemical shifts19
1H chemical shifts19

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 336 residues - 38557.980 Da.

1   GLYTHRGLNGLNARGASPGLUVALTRPVAL
2   VALGLYMETGLYILEVALMETSERLEUILE
3   VALLEUALAILEVALPHEGLYASNVALLEU
4   VALILETHRALAILECYSLYSPHEGLUARG
5   LEUGLNTHRVALTHRASNTYRPHEILETHR
6   SERLEUALAVALALAASPLEUVALMETGLY
7   LEUALAVALVALPROPHEGLYALAALAHIS
8   ILELEUTHRLYSTHRTRPTHRPHEGLYASN
9   PHETRPCYSGLUPHETRPTHRSERILEASP
10   VALLEUCYSVALTHRALASERILETRPTHR
11   LEUCYSVALILEALAVALASPARGTYRPHE
12   ALAILECYSSERPROPHELYSTYRGLNSER
13   LEULEUTHRLYSCYSLYSALAARGVALILE
14   ILELEUMETVALTRPILEVALSERGLYLEU
15   THRSERPHELEUPROILEGLNMETHISTRP
16   TYRARGALATHRHISGLNGLUALAILEASN
17   CYSTYRALAGLUGLUTHRCYSCYSASPPHE
18   PHETHRASNGLNALATYRALAILEALASER
19   SERILEVALSERPHETYRVALPROLEUVAL
20   ILEMETVALPHEVALTYRSERARGVALPHE
21   GLNGLUALALYSARGGLNLEUGLNLYSILE
22   ASPLYSSERGLUGLYARGPHEHISVALGLN
23   ASNVALSERGLNVALGLUGLNASPGLYARG
24   THRGLYHISGLYHISARGARGSERSERLYS
25   PHEALACYSLYSGLUHISLYSALALEULYS
26   THRLEUGLYILEILEMETGLYTHRPHETHR
27   LEUCYSTRPLEUPROPHEPHEILEVALASN
28   ILEVALHISVALILEGLNASPASNLEUILE
29   ARGLYSGLUVALTYRILELEULEUASNTRP
30   ILEGLYTYRVALASNSERGLYPHEASNPRO
31   LEUILETYRSERARGSERPROASPPHEARG
32   CYSALAPHEGLNGLULEULEUALAALAARG
33   ARGSERSERVALLYSALAHISHISHISHIS
34   HISHISHISHISHISHIS

Samples:

sample_1: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (A59C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_10: HEPES 20 ± 1 mM; ascorbate 1 ± 0.1 mM; beta 2 adrenergic receptor (I334C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_11: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (I334C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_2: HEPES 20 ± 1 mM; ascorbate 1 ± 0.1 mM; beta 2 adrenergic receptor (A59C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_3: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (T136C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_4: HEPES 20 ± 1 mM; ascorbate 1 ± 0.1 mM; beta 2 adrenergic receptor (T136C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_5: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (N148C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_6: HEPES 20 ± 1 mM; ascorbate 1 ± 0.1 mM; beta 2 adrenergic receptor (N148C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_7: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (L266C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_8: HEPES 20 ± 1 mM; ascorbate 1 ± 0.1 mM; beta 2 adrenergic receptor (L266C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_9: HEPES 20 ± 1 mM; beta 2 adrenergic receptor (I334C-MTSL), [2,3,3-2H,15N]-Leu, 100 ± 10 uM; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D 1H-15N HSQCsample_5isotropicsample_conditions_1
2D 1H-15N HSQCsample_6isotropicsample_conditions_1
2D 1H-15N HSQCsample_7isotropicsample_conditions_1
2D 1H-15N HSQCsample_8isotropicsample_conditions_1
2D 1H-15N HSQCsample_9isotropicsample_conditions_1
2D 1H-15N HSQCsample_10isotropicsample_conditions_1
2D 1H-15N HSQCsample_11isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

TopSpin, Bruker Biospin - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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