BMRB Entry 34313
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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/BMR34313
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Title: Nicomacin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain PubMed: 30360541
Deposition date: 2018-09-14 Original release date: 2018-11-02
Authors: Panteleev, P.; Tsarev, A.; Bolosov, I.; Paramonov, A.; Marggraf, M.; Sychev, S.; Shenkarev, Z.; Ovchinnikova, T.
Citation: Panteleev, Pavel; Tsarev, Andrey; Bolosov, Ilia; Paramonov, Alexander; Marggraf, Mariana; Sychev, Sergey; Shenkarev, Zakhar; Ovchinnikova, Tatiana. "Novel Antimicrobial Peptides from the Arctic Polychaeta" Mar. Drugs 16, E401-E401 (2018).
Assembly members:
entity_1, polymer, 33 residues, 3544.132 Da.
Natural source: Common Name: Nicomache minor Taxonomy ID: 1441599 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Nicomache minor
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: GFWSSVWDGAKNVGTAIIKN
AKVCVYAVCVSHK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 64 |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 33 residues - 3544.132 Da.
| 1 | GLY | PHE | TRP | SER | SER | VAL | TRP | ASP | GLY | ALA | ||||
| 2 | LYS | ASN | VAL | GLY | THR | ALA | ILE | ILE | LYS | ASN | ||||
| 3 | ALA | LYS | VAL | CYS | VAL | TYR | ALA | VAL | CYS | VAL | ||||
| 4 | SER | HIS | LYS |
Samples:
sample_1: Nicomacin 0.25 mM
sample_conditions_1: ionic strength: 20 mM; pH: 3.1; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
TOPSPIN, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceIII 600 MHz