BMRB Entry 34183
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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/BMR34183
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Title: Nemertide alpha-1
Deposition date: 2017-10-04 Original release date: 2018-03-09
Authors: Jacobsson, E.; Rosengren, K.; Goransson, U.
Citation: Jacobsson, E.; Andersson, H.; Strand, M.; Peigneur, S.; Eriksson, C.; Loden, H.; Shariatgorji, M.; Andren, P.; Lebbe, K.; Rosengren, K.; Tytgat, J.; Goransson, U.. "Lineus longissimus, the longest animal on earth, expresses peptide toxins targeting voltage gated sodium channels" Sci. Rep. ., .-. (2018).
Assembly members:
entity_1, polymer, 31 residues, 3318.805 Da.
Natural source: Common Name: ribbon worms Taxonomy ID: 88925 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lineus longissimus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCIATGSFCTLSKGCCTKNC
GWNFKCNXXNQ
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 71 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 176 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 31 residues - 3318.805 Da.
| 1 | GLY | CYS | ILE | ALA | THR | GLY | SER | PHE | CYS | THR | ||||
| 2 | LEU | SER | LYS | GLY | CYS | CYS | THR | LYS | ASN | CYS | ||||
| 3 | GLY | TRP | ASN | PHE | LYS | CYS | ASN | HYP | HYP | ASN | ||||
| 4 | GLN |
Samples:
sample_1: Nemertide alpha-1 3 ± 0.5 mg/mL
sample_2: Nemertide alpha-1 3 ± 0.5 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 4.1; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0 mM; pH: 4.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H ECOSY | sample_2 | isotropic | sample_conditions_2 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
TOPSPIN v2.1, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts