BMRB Entry 15140
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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/BMR15140
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Title: Proton chemical shifts of mytilin PubMed: 17628674
Deposition date: 2007-02-22 Original release date: 2007-10-24
Authors: Roch, Philippe; Yang, Yinshan; Aumelas, Andre
Citation: Roch, Philippe; Yang, Yinshan; Toubianaa, Mylene; Aumelas, Andre. "NMR structure of mussel mytilin, and antiviral-antibacterial activities of derived synthetic peptides." Dev. Comp. Immunol. 32, 227-238 (2007).
Assembly members:
mytilin, polymer, 34 residues, Formula weight is not available
Natural source: Common Name: Mediterranean mussel Taxonomy ID: 29158 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mytilus galloprovincialis
Experimental source: Production method: chemical synthesis Host organism: Synthetic
Entity Sequences (FASTA):
mytilin: SCASRCKGHCRARRCGYYVS
VLYRGRCYCKCLRC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 226 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mytilin structure | 1 |
Entities:
Entity 1, Mytilin structure 34 residues - Formula weight is not available
| 1 | SER | CYS | ALA | SER | ARG | CYS | LYS | GLY | HIS | CYS | ||||
| 2 | ARG | ALA | ARG | ARG | CYS | GLY | TYR | TYR | VAL | SER | ||||
| 3 | VAL | LEU | TYR | ARG | GLY | ARG | CYS | TYR | CYS | LYS | ||||
| 4 | CYS | LEU | ARG | CYS |
Samples:
sample_1: mytilin0.8 – 1.0 mM
sample_conditions_1: ionic strength: . M; pH: 3.3; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.1, Bruker Biospin - collection, processing
GIFA, Delsuc - data analysis
X-PLOR, Brunger - geometry optimization
NMR spectrometers:
- Bruker Avance 600 MHz