BMRB Entry 20127
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20127
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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).
PubMed: 21067234
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
- assigned_chemical_shifts
- conformer_family_coord_set
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 78 |
| conformer coordinate sets | 1 |
| coupling constants | 14 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Nociceptin Agonist | 1 |
Entities:
Entity 1, Nociceptin Agonist 15 residues - Formula weight is not available
| 1 | PHE | GLY | GLY | PHE | THR | LYS | ALA | ARG | LYS | ASP | ||||
| 2 | LYS | ARG | LYS | LEU | ASP |
Samples:
sample_1: Nociceptin Agonist 4 mg; H2O 90%; D2O 10%
sample_conditions_1: pH: 4; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR, Brunger - geometry optimization, refinement
NMR spectrometers:
- Bruker Avance 600 MHz