BMRB Entry 21001
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21001
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Citation: Da Costa, Gregory; Bondon, Arnaud; Delalande, Olivier; Mouret, Liza; Monti, Jean-Pierre. "Elucidation by NMR solution of neurotensin in small unilamellar vesicle environment: molecular surveys for neurotensin receptor recognition" J. Biomol. Struct. Dyn. ., .-. (2012).
PubMed: 22928939
Assembly members:
neurotensin, polymer, 13 residues, 1672.95 Da.
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):
neurotensin: XLYENKPRRPYIL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | neurotensin | 1 |
Entities:
Entity 1, neurotensin 13 residues - 1672.95 Da.
| 1 | PCA | LEU | TYR | GLU | ASN | LYS | PRO | ARG | ARG | PRO | ||||
| 2 | TYR | ILE | LEU |
Samples:
sample_1: neurotensin 0.6 mM; Small Unilamellar Vesicle 36 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.3; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY No.1 | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY No.1 | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY No.2 | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY No.2 | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - processing
SPARKY, Goddard - data analysis
InsightII, Accelrys Software Inc. - structure solution
ProcheckNMR, Laskowski and MacArthur - data analysis
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz