BMRB Entry 20089

Name: Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice
Published: 2011-06-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20089

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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:

Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice

Deposition date:

2009-07-23

Original release date:

2011-06-03

Authors:

Fairlie, David; Ruiz-Gomez, Gloria

Citation:

Citation: Harrison, Rosemary; Ruiz-Gomez, Gloria; Hill, Timothy; Chow, Shiao; Shepherd, Nicholas; Lohman, Rink-Jan; Abbenante, Giovanni; Hoang, Huy; Fairlie, David. "Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice." J. Med. Chem. 53, 8400-8408 (2010).
PubMed: 21067234

Assembly members:

Assembly members:
nociceptin_analogue, polymer, 19 residues, Formula weight is not available

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):
nociceptin_analogue: FGGXTGKRKSDRKKKNQDX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
1H chemical shifts	127
coupling constants	17

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nociceptin analogue	1

Entities:

Entity 1, nociceptin analogue 19 residues - Formula weight is not available

1

PHE

GLY

PFF

THR

GLY

LYS

ARG

LYS

SER

2

ASP

ARG

LYS

ASN

GLN

ASP

NH2

Samples:

sample_1: nociceptin analogue2 – 5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.5; temperature: 288 K

Experiments:

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

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization

NMR spectrometers:

Bruker Avance 600 MHz