BMRB Entry 20086

Name: Helical Agonist of Nociceptin (NOP) Receptor
Published: 2011-06-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20086

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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: Helical Agonist of Nociceptin (NOP) Receptor PubMed: 21067234

Deposition date: 2009-07-23 Original release date: 2011-06-03

Authors: Hill, Timothy; Fairlie, David; Hoang, Huy

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).

Assembly members:
Nociceptin_Antagonist, polymer, 18 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
Nociceptin_Antagonist: FGGFTGKRKSDRKKANQD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
1H chemical shifts	82

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Nociceptin Antagonist	1

Entities:

Entity 1, Nociceptin Antagonist 18 residues - Formula weight is not available

1

PHE

GLY

PHE

THR

GLY

LYS

ARG

LYS

SER

2

ASP

ARG

LYS

ALA

ASN

GLN

ASP

Samples:

sample_1: Nociceptin Antagonist 3 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 3.5; 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