BMRB Entry 34059
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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/BMR34059
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Title: Spatial structure of antimicrobial peptide arenicin-1 mutant V8R PubMed: 27940358
Deposition date: 2016-11-02 Original release date: 2017-07-21
Authors: Myshkin, M.; Shenkarev, Z.; Panteleev, P.; Ovchinnikova, T.
Citation: Panteleev, P.; Myshkin, M.; Shenkarev, Z.; Ovchinnikova, T.. "Dimerization of the antimicrobial peptide arenicin plays a key role in the cytotoxicity but not in the antibacterial activity." Biochem. Biophys. Res. Commun. 482, 1320-1326 (2017).
Assembly members:
entity_1, polymer, 21 residues, 2824.409 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: RWCVYAYRRVRGVLVRYRRC
W
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 79 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 168 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2824.409 Da.
| 1 | ARG | TRP | CYS | VAL | TYR | ALA | TYR | ARG | ARG | VAL | ||||
| 2 | ARG | GLY | VAL | LEU | VAL | ARG | TYR | ARG | ARG | CYS | ||||
| 3 | TRP |
Samples:
sample_1: arenicin-1 V8R, [U-99% 15N], 1.8 mM
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | 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 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker AvanceI 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts