BMRB Entry 31029
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31029
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Title: NMR Structure of Ac-hGal(17-30)NH2, an N-terminally acetylated fragment of the C-terminus of human galanin PubMed: 35994823
Deposition date: 2022-06-28 Original release date: 2022-08-17
Authors: Kraichely, K.; Hendy, C.; Parnham, S.; Giuliano, M.
Citation: Wilkinson, R.; Kraichely, K.; Hendy, C.; Buchanan, L.; Parnham, S.; Giuliano, M.. "The neuropeptide galanin adopts an irregular secondary structure" Biochem. Biophys. Res. Commun. 626, 121-128 (2022).
Assembly members:
entity_1, polymer, 16 residues, 1546.647 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):
entity_1: XGNHRSFSDKNGLTSX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 16 residues - 1546.647 Da.
| 1 | ACE | GLY | ASN | HIS | ARG | SER | PHE | SER | ASP | LYS | ||||
| 2 | ASN | GLY | LEU | THR | SER | NH2 |
Samples:
sample_1: Ac-hGal(17-30)-NH2 2 mM; sodium acetate, [U-2H], 4.14 mM; acetic acid, [U-2H], 5.86 mM
sample_conditions_1: pH: 4.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H NMR | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
MestreLab (Mnova / MestReNova / MestReC), MestreLab - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker AVANCE II 600 MHz