BMRB Entry 15115
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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/BMR15115
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Title: Solution structure of antimicrobial peptide Arenicin-2 in water PubMed: 17585874
Deposition date: 2007-01-29 Original release date: 2007-10-17
Authors: Nadezhdin, Kirill; Shenkarev, Zakhar
Citation: Ovchinnikovaa, Tatiana; Shenkareva, Zakhar; Nadezhdina, Kirill; Balandina, Sergey; Zhmaka, Maxim; Kudelinaa, Irina; Finkinaa, Ekaterina; Kokryakovb, Vladimir; Arseniev, Alexander. "Recombinant expression, synthesis, purification, and solution structure of arenicin" Biochem. Biophys. Res. Commun. 360, 156-162 (2007).
Assembly members:
antimicrobial_peptide, polymer, 21 residues, 2780.392 Da.
Natural source: Common Name: lugworm Taxonomy ID: 6344 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Arenicola marina
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
antimicrobial_peptide: RWCVYAYVRIRGVLVRYRRC
W
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 140 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | arenicin-2 | 1 |
Entities:
Entity 1, arenicin-2 21 residues - 2780.392 Da.
SS-bond Cys3-Cys20
| 1 | ARG | TRP | CYS | VAL | TYR | ALA | TYR | VAL | ARG | ILE | ||||
| 2 | ARG | GLY | VAL | LEU | VAL | ARG | TYR | ARG | ARG | CYS | ||||
| 3 | TRP |
Samples:
sample_1: arenicin-2 0.6 mM
sample_conditions_1: ionic strength: 0 M; pH: 3.3; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
XEASY, Bartels et al. - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection, data analysis, processing
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
VNMR, Varian - collection, data analysis
NMR spectrometers:
- Bruker DRX 500 MHz
- Varian Unity 600 MHz