BMRB Entry 34320

Name: Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
Published: 2019-10-28

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PDB ID: 6hvk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34320
MolProbity Validation Chart

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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:

Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor

Deposition date:

2018-10-11

Original release date:

2019-10-28

Authors:

Carotenuto, A.; Hoang, T.; Nassour, H.; Martin, R.; Billard, E.; Myriam, L.; Novellino, E.; Tanny, J.; Fournier, A.; Hebert, T.; Chatenet, D.

Citation:

Citation: Nassour, Hassan; Hoang, Tuan Anh; Martin, Ryan; Dallagnol, Juliana; Billard, etienne; Letourneau, Myriam; Novellino, Ettore; Carotenuto, Alfonso; Allen, Bruce; Tanny, Jason; Fournier, Alain; Hebert, Terence; Chatenet, David. "Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands" J. Biol. Chem. 297, 101057-101057 (2021).
PubMed: 34389356

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 1456.692 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: XRPLDTVQRPKGYX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	95

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 14 residues - 1456.692 Da.

1

ACE

ARG

PRO

LEU

ASP

THR

VAL

GLN

ARG

PRO

2

LYS

GLY

TYR

NH2

Samples:

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

sample_conditions_1: ionic strength: 0 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	anisotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D DQF-COSY	sample_1	anisotropic	sample_conditions_1

Software:

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

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

Varian INOVA 700 MHz