BMRB Entry 34755
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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/BMR34755
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Title: NMR structure of the antimicrobial peptide Of-Pis1 in DPC micelles PubMed: 36328080
Deposition date: 2022-09-10 Original release date: 2022-11-28
Authors: Alaimo, N.; Bischetti, M.; Gallo, M.; Cicero, D.
Citation: Bischetti, M.; Alaimo, N.; Nardelli, F.; Punzi, P.; Amiariei, C.; Ingenito, R.; Musco, G.; Gallo, M.; Cicero, D.. "Structural insights on the selective interaction of the histidine-rich piscidin antimicrobial peptide Of-Pis1 with membranes" Biochim. Biophys. Acta Biomembr. 1865, 184080-184080 (2023).
Assembly members:
entity_1, polymer, 24 residues, 2583.042 Da.
Natural source: Common Name: barred knifejaw Taxonomy ID: 163134 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oplegnathus fasciatus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FLGMLLHGVGHAIHGLIHGK
QNVE
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 84 |
| 1H chemical shifts | 170 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 24 residues - 2583.042 Da.
| 1 | PHE | LEU | GLY | MET | LEU | LEU | HIS | GLY | VAL | GLY | ||||
| 2 | HIS | ALA | ILE | HIS | GLY | LEU | ILE | HIS | GLY | LYS | ||||
| 3 | GLN | ASN | VAL | GLU |
Samples:
sample_1: Of-Pis1 3 mM; DPC, [U-2H], 60 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 40 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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 |
Software:
TopSpin, Bruker Biospin - collection
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz