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 20087

Title: Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice   PubMed: 21067234

Authors: Fairlie, David

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_analogue, polymer, 19 residues, Formula weight is not available

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):
nociceptin_analogue: FGGXTGKRKSDRKKKNQDX

Data sets:
Data typeCount
1H chemical shifts127
coupling constants17

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1nociceptin analogue1

Entities:

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

1   PHEGLYGLYPFFTHRGLYLYSARGLYSSER
2   ASPARGLYSLYSLYSASNGLNASPNH2

Samples:

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

sample_conditions_1: pH: 4.5; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 20088 20089