BMRB Entry 5840
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5840
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Title: Chemical Shifts assignments for Frenatin 3 in both Triflouroethanol/water and water PubMed: 14579314
Deposition date: 2003-06-22 Original release date: 2003-12-18
Authors: Bowie, John; Llewellyn, Lyndon; Doyle, Jason; Wegener, Kate; Carver, John; Brinkworth, Craig
Citation: Brinkworth, Craig; Carver, John; Wegener, Kate; Doyle, Jason; Llewellyn, Lyndon; Bowie, John. "The solution structure of frenatin 3, a neuronal nitric oxide synthase inhibitor from the giant tree frog, Litoria infrafrenata" Biopolymers 70, 424-434 (2003).
Assembly members:
Frenatin 3, polymer, 22 residues, 2179 Da.
Natural source: Common Name: Giant Tree Frog Taxonomy ID: 61195 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Litoria Infrafrenata
Experimental source: Production method: vendor
Entity Sequences (FASTA):
Frenatin 3: GLMSVLGHAVGNVLGGLFKP
KS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 321 |
| 13C chemical shifts | 44 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Frenatin 3 | 1 |
Entities:
Entity 1, Frenatin 3 22 residues - 2179 Da.
| 1 | GLY | LEU | MET | SER | VAL | LEU | GLY | HIS | ALA | VAL | ||||
| 2 | GLY | ASN | VAL | LEU | GLY | GLY | LEU | PHE | LYS | PRO | ||||
| 3 | LYS | SER |
Samples:
Frenatin_3_in_TFE-water: Frenatin 3 4.1 mM; H2O 50%; Deuterated Trifluorethanol 50%
Frenatin_3_in_water: Frenatin 3 4.1 mM; H2O 100%
sample_cond_1: pH: 3.51; temperature: 298 K
sample_cond_2: pH: 3.05; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | not available | not available | not available |
| QF-COSY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| 1D | not available | not available | not available |
Software:
No software information available
NMR spectrometers:
- Varian INOVA 600 MHz