BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34319

Title: NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution   PubMed: 30615452

Deposition date: 2018-10-10 Original release date: 2019-01-11

Authors: Brancaccio, D.; Carotenuto, A.; Merlino, F.; Billard, E.; Yousif, A.; Di Maro, S.; Abate, L.; Bellavita, R.; D'Emmanuele di Villa Bianca, R.; Santicioli, P.; Marinelli, L.; Novellino, E.; Hebert, T.; Lubell, W.; Chatenet, D.; Grieco, P.

Citation: Merlino, F.; Billard, E.; Yousif, A.; Di Maro, S.; Brancaccio, D.; Abate, L.; Carotenuto, A.; Bellavita, R.; d'Emmanuele di Villa Bianca, R.; Santicioli, P.; Marinelli, L.; Novellino, E.; Hebert, T.; Lubell, W.; Chatenet, D.; Grieco, P.. "Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides"  J. Med. Chem. 62, 1455-1467 (2019).

Assembly members:
entity_1, polymer, 8 residues, 1078.284 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: DCFXKYCV

Data sets:
Data typeCount
1H chemical shifts60

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 8 residues - 1078.284 Da.

1   ASPCYSPHEE9MLYSTYRCYSVAL

Samples:

sample_1: peptide 2.0 mM; SDS, [U-99% 2H], 200 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D DQF-COSYsample_1anisotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 700 MHz