BMRB Entry 50383

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50383

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Title:
1H and 13C chemical shifts for a mixture of a CB1-derived peptide and a beta-arrestin1-derived peptide in 30% TFE
Deposition date:
2020-07-09
Original release date:
2020-11-18
Authors:
Jimenez, M. Angeles; Morales, Paula
Citation:

Citation: Morales, Paula; Bruix, Marta; Jimenez, M. Angeles. "Structural Insights into beta-arrestin/CB1 Receptor Interaction: NMR and CD Studies on Model Peptides"  Int. J. Mol. Sci. 21, 8111-8111 (2020).
PubMed: 33143110

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1694.93 Da.
entity_2, polymer, 21 residues, 2311.74 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XYGREDLDVLGLTFRX
entity_2: XTVNPIIYALRSKDLRHAFR X

Data sets:
Data typeCount
13C chemical shifts128
1H chemical shifts260

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1barr1(63-76)1
2CB1(391-409)2

Entities:

Entity 1, barr1(63-76) 16 residues - 1694.93 Da.

N-end is acetylated and C-end amidated The N-terminal X corresponds to the N-terminal acetyl group The C-terminal X corresponds to the C-terminal amide group

1   ACETYRGLYARGGLUASPLEUASPVALLEU
2   GLYLEUTHRPHEARGNH2

Entity 2, CB1(391-409) 21 residues - 2311.74 Da.

N-end is acetylated and C-end amidated The N-terminal X corresponds to the N-terminal acetyl group The C-terminal X corresponds to the C-terminal amide group

1   ACETHRVALASNPROILEILETYRALALEU
2   ARGSERLYSASPLEUARGHISALAPHEARG
3   NH2

Samples:

sample_1: CB1(391-409) 1 mM; barr1(63-76) 1 mM; H2O 63 % v/v; D2O, [U-2H], 7 % v/v; TFE, [U-2H], 30 % v/v; DSS 0.1 mM

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection, processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz MHz