BMRB Entry 34381
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34381
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Title: NMR structure of Chromogranin A (F39-D63) PubMed: 31755501
Deposition date: 2019-03-19 Original release date: 2019-12-02
Authors: Nardelli, F.; Quilici, G.; Ghitti, M.; Curnis, F.; Gori, A.; Berardi, A.; Corti, A.; Musco, G.
Citation: Nardelli, Francesca; Ghitti, Michela; Quilici, Giacomo; Gori, Alessandro; Luo, Qingqiong; Berardi, Andrea; Sacchi, Angelina; Monieri, Matteo; Bergamaschi, Greta; Bermel, Wolfgang; Chen, Fuxiang; Corti, Angelo; Curnis, Flavio; Musco, Giovanna. "A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alphavbeta6 and alphavbeta8" Chem. Commun. (Camb.) 55, 14777-14780 (2019).
Assembly members:
entity_1, polymer, 25 residues, 3042.471 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_1: FETLRGDERILSILRHQNLL
KELQD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 133 |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 3042.471 Da.
| 1 | PHE | GLU | THR | LEU | ARG | GLY | ASP | GLU | ARG | ILE | ||||
| 2 | LEU | SER | ILE | LEU | ARG | HIS | GLN | ASN | LEU | LEU | ||||
| 3 | LYS | GLU | LEU | GLN | ASP |
Samples:
sample_1: Chromogranin A, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM
sample_2: Chromogranin A 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM
sample_3: Chromogranin A, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM
sample_4: Chromogranin A 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 148 mM; pH: 6.5; pressure: 1 bar; temperature: 280 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_4 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation
Analysis v2.4, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance-600 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts