BMRB Entry 20087
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20087
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Title: Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice PubMed: 21067234
Deposition date: 2009-07-23 Original release date: 2011-06-03
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
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 127 |
| coupling constants | 17 |
Additional metadata:
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 | GLY | PFF | THR | GLY | LYS | ARG | LYS | SER | ||||
| 2 | ASP | ARG | LYS | LYS | 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