BMRB Entry 50463
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50463
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: L-Phenylseptin PubMed: 23565145
Deposition date: 2020-09-06 Original release date: 2020-10-07
Authors: de Magalhaes, Mariana; Barbosa, Eder; Prates, Maura; Verly, Rodrigo; Munhoz, Victor; Araujo, Ivan; Bloch, Carlos
Citation: de Magalhaes, Mariana; Barbosa, Eder; Prates, Maura; Verly, Rodrigo; Munhoz, Victor Hugo; de Araujo, Ivan; Bloch, Carlos. "Conformational and functional effects induced by D- and L-amino acid epimerization on a single gene encoded peptide from the skin secretion of Hypsiboas punctatus" PLoS ONE 8, e59255-e59255 (2013).
Assembly members:
entity_1, polymer, 19 residues, 1954.20 Da.
Natural source: Common Name: polka-dot treefrog Taxonomy ID: 2499473 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Boana punctata
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FFFDTLKNLAGKVIGALTX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 117 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | L-Phenylseptin | 1 |
Entities:
Entity 1, L-Phenylseptin 19 residues - 1954.20 Da.
| 1 | PHE | PHE | PHE | ASP | THR | LEU | LYS | ASN | LEU | ALA | ||||
| 2 | GLY | LYS | VAL | ILE | GLY | ALA | LEU | THR | NH2 |
Samples:
sample_1: L-Phenylseptin 2 mM; sodium phosphate 300 mM; DSS 3%; D2O 40%; TFE 60%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 393 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.17 - structure solution
NMRView v5.0.3 - chemical shift assignment
NMRPipe - processing
TALOS+ - geometry optimization
QUEEN - geometry optimization
NMR spectrometers:
- Bruker AVANCE III 800 MHz