Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 20127

Title: Nociceptin Agonist   PubMed: 21067234

Deposition date: 2010-08-06 Original release date: 2011-06-02

Authors: Fairlie, David; Hill, Tim; Harrison, Rosemary; 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. ., .-. (2010).

Assembly members:
Nociceptin_Agonist, polymer, 15 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: chemical synthesis

Entity Sequences (FASTA):
Nociceptin_Agonist: FGGFTKARKDKRKLD

Data sets:
Data typeCount
1H chemical shifts78
conformer coordinate sets1
coupling constants14

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1Nociceptin Agonist1


Entity 1, Nociceptin Agonist 15 residues - Formula weight is not available



sample_1: Nociceptin Agonist 4 mg; H2O 90%; D2O 10%

sample_conditions_1: pH: 4; temperature: 288 K


NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1


X-PLOR, Brunger - geometry optimization, refinement

NMR spectrometers:

  • Bruker Avance 600 MHz