BMRB Entry 53034

Name: NMR chemical shifts and assignments for the 15N-tyrosine labeled V129I-b1AR construct of the Turkey B1-adrenergic receptor in complex with isoprenaline.
Published: 2025-04-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53034

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR chemical shifts and assignments for the 15N-tyrosine labeled V129I-b1AR construct of the Turkey B1-adrenergic receptor in complex with isoprenaline.

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_5FW, non-polymer, 211.258 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 SFLCELWTSLDVLCVTASIE TLCVIAIDRYLAITSPFRYQ SLMTRARAKVIICTVWAISA LVSFLPIMMHWWRDEDPQAL KCYQDPGCCEFVTNRAYAIA SSIISFYIPLLIMIFVYLRV YREAKEQIRKIDRASKRKTS RVMLMREHKALKTLGIIMGV FTLCWLPFFLVNIVNVFNRD LVPKWLFVAFNWLGYANSAM NPIIYCRSPDFRKAFKRLLA FPRKADRRLHHHHHH

Data sets:

assigned_chemical_shifts
spectral_peak_list

Data type	Count
15N chemical shifts	8
1H chemical shifts	8

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	V129I-b1-adrenergic receptor in complex with isoprenaline, conformer 1	1
2	V129I-b1-adrenergic receptor in complex with isoprenaline, conformer 2	1
3	V129I-b1-adrenergic receptor in complex with isoprenaline, conformer 3	1
4	Isoprenaline	2

Entities:

Entity 1, V129I-b1-adrenergic receptor in complex with isoprenaline, conformer 1 315 residues - Formula weight is not available

1

MET

GLY

ALA

GLU

LEU

SER

GLN

TRP

2

GLU

ALA

GLY

MET

SER

LEU

MET

ALA

LEU

3

VAL

LEU

ILE

VAL

ALA

GLY

ASN

VAL

4

LEU

VAL

ILE

ALA

ILE

GLY

SER

THR

GLN

5

ARG

LEU

GLN

THR

LEU

THR

ASN

LEU

PHE

ILE

6

THR

SER

LEU

ALA

CYS

ALA

ASP

LEU

VAL

7

GLY

LEU

VAL

PRO

PHE

GLY

ALA

THR

8

LEU

VAL

ARG

GLY

THR

TRP

LEU

TRP

GLY

9

SER

PHE

LEU

CYS

GLU

LEU

TRP

THR

SER

LEU

10

ASP

VAL

LEU

CYS

VAL

THR

ALA

SER

ILE

GLU

11

THR

LEU

CYS

VAL

ILE

ALA

ILE

ASP

ARG

TYR

12

LEU

ALA

ILE

THR

SER

PRO

PHE

ARG

TYR

GLN

13

SER

LEU

MET

THR

ARG

ALA

ARG

ALA

LYS

VAL

14

ILE

CYS

THR

VAL

TRP

ALA

ILE

SER

ALA

15

LEU

VAL

SER

PHE

LEU

PRO

ILE

MET

HIS

16

TRP

ARG

ASP

GLU

ASP

PRO

GLN

ALA

LEU

17

LYS

CYS

TYR

GLN

ASP

PRO

GLY

CYS

GLU

18

PHE

VAL

THR

ASN

ARG

ALA

TYR

ALA

ILE

ALA

19

SER

ILE

SER

PHE

TYR

ILE

PRO

LEU

20

LEU

ILE

MET

ILE

PHE

VAL

TYR

LEU

ARG

VAL

21

TYR

ARG

GLU

ALA

LYS

GLU

GLN

ILE

ARG

LYS

22

ILE

ASP

ARG

ALA

SER

LYS

ARG

LYS

THR

SER

23

ARG

VAL

MET

LEU

MET

ARG

GLU

HIS

LYS

ALA

24

LEU

LYS

THR

LEU

GLY

ILE

MET

GLY

VAL

25

PHE

THR

LEU

CYS

TRP

LEU

PRO

PHE

LEU

26

VAL

ASN

ILE

VAL

ASN

VAL

PHE

ASN

ARG

ASP

27

LEU

VAL

PRO

LYS

TRP

LEU

PHE

VAL

ALA

PHE

28

ASN

TRP

LEU

GLY

TYR

ALA

ASN

SER

ALA

MET

29

ASN

PRO

ILE

TYR

CYS

ARG

SER

PRO

ASP

30

PHE

ARG

LYS

ALA

PHE

LYS

ARG

LEU

ALA

31

PHE

PRO

ARG

LYS

ALA

ASP

ARG

LEU

HIS

32

HIS

Entity 2, Isoprenaline - C11 H17 N O3 - 211.258 Da.

1

5FW

Samples:

sample_1: Turkey B1AR, [U-15N]-Tyr, 89 uM; Isoprenaline 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%

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

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_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