BMRB Entry 34476
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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/BMR34476
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Title: Solution structure of antimicrobial peptide, crabrolin Plus in the presence of Lipopolysaccharide PubMed: 32585759
Deposition date: 2020-01-13 Original release date: 2020-07-20
Authors: Cantini, F.; Bouchemal, N.; Savarin, P.; Sette, M.
Citation: Cantini, F.; Luzi, C.; Bouchemal, N.; Savarin, P.; Bozzi, A.; Sette, M.. "Effect of positive charges in the structural interaction of crabrolin isoforms with lipopolysaccharide." J. Pept. Sci. ., e3271-e3271 (2020).
Assembly members:
entity_1, polymer, 13 residues, 1571.048 Da.
Natural source: Common Name: European hornet Taxonomy ID: 7445 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Vespa crabro
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FLPKILRKIVRAL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 44 |
| 1H chemical shifts | 118 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 13 residues - 1571.048 Da.
| 1 | PHE | LEU | PRO | LYS | ILE | LEU | ARG | LYS | ILE | VAL | ||||
| 2 | ARG | ALA | LEU |
Samples:
sample_1: Crabrolin Plus, mutant of Crabrolin peptide 0.87 mM; Lipopolysaccharide 14.6 uM
sample_conditions_1: ionic strength: 125 mM; pH: 6.1; pressure: 760 mmHg; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Sparky, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 600 MHz