BMRB Entry 18162
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18162
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Title: Neurotensin 40 structures in water pH 5.5 298 K. NMR data & structures PubMed: 22824320
Deposition date: 2011-12-27 Original release date: 2012-08-16
Authors: Mukhopadhyay, Chaitali; Khatun, Ummul Liha
Citation: Khatun, Ummul; Goswami, Sudipto; Mukhopadhyay, Chaitali. "Modulation of the neurotensin solution structure in the presence of ganglioside GM1 bicelle" Biophys. Chem. 168, 48-59 (2012).
Assembly members:
entity, polymer, 26 residues, 3369.949 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: ELYENKPRRPYILELYENKP
RRPYIL
- 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 26 residues - 3369.949 Da.
| 1 | GLU | LEU | TYR | GLU | ASN | LYS | PRO | ARG | ARG | PRO | ||||
| 2 | TYR | ILE | LEU | GLU | LEU | TYR | GLU | ASN | LYS | PRO | ||||
| 3 | ARG | ARG | PRO | TYR | ILE | LEU |
Samples:
sample_1: Neurotensin 4.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 4.5 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH, Charles Schwieters, T.D. Goddard, D.G. Kneller - chemical shift assignment, processing, refinement
SPARKY, Charles Schwieters, T.D. Goddard, D.G. Kneller - chemical shift assignment, processing, refinement
NMR spectrometers:
- Bruker DRX 500 MHz