BMRB Entry 34343
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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/BMR34343
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: P31-43. PubMed: 30912242
Deposition date: 2018-12-20 Original release date: 2019-03-14
Authors: Calvanese, L.; D'Auria, G.; Falcigno, F.
Citation: Calvanese, Luisa; Nanayakkara, Merlin; Aitoro, Rosita; Sanseverino, Marina; Tornesello, Anna Lucia; Falcigno, Lucia; D'Auria, Gabriella; Barone, Maria Vittoria. "Structural insights on P31-43, a gliadin peptide able to promote an innate but not an adaptive response in celiac disease" J. Pept. Sci. 25, e3161-e3161 (2019).
Assembly members:
entity_1, polymer, 13 residues, 1451.580 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: LGQQQPAPPQQPY
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1451.580 Da.
| 1 | LEU | GLY | GLN | GLN | GLN | PRO | ALA | PRO | PRO | GLN | ||||
| 2 | GLN | PRO | TYR |
Samples:
sample_1: entity_1 1.4 mM
sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | anisotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Varian INOVA 600 MHz