BMRB Entry 25769
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25769
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Title: Structural elucidation of the frog skin-derived peptide Esculentin-1a[Esc(1-21)NH2] in Lipopolysaccharide and correlation with their function PubMed: 26724203
Deposition date: 2015-08-26 Original release date: 2016-02-29
Authors: Ghosh, Anirban; Bhunia, Anirban
Citation: Ghosh, Anirban; Bera, Swapna; Shai, Yechiel; Mangoni, Maria Luisa; Bhunia, Anirban. "NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions" Biochim. Biophys. Acta 1858, 800-812 (2015).
Assembly members:
entity, polymer, 21 residues, 2190.757 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: GIFSKLAGKKIKNLLISGLK
G
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 120 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 21 residues - 2190.757 Da.
| 1 | GLY | ILE | PHE | SER | LYS | LEU | ALA | GLY | LYS | LYS | ||||
| 2 | ILE | LYS | ASN | LEU | LEU | ILE | SER | GLY | LEU | LYS | ||||
| 3 | GLY |
Samples:
sample_1: entity 1 mM
sample_conditions_1: pH: 4.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Cyana, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker DRX 500 MHz