BMRB Entry 34340

Name: P31-43
Published: 2019-03-14

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PDB ID: 6qax
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34340
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

P31-43

Deposition date:

2018-12-19

Original release date:

2019-03-14

Authors:

Calvanese, L.; D'Auria, G.; Falcigno, F.

Citation:

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).
PubMed: 30912242

Assembly members:

Assembly members:
entity_1, polymer, 13 residues, 1527.676 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LGQQQPFPPQQPY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	83

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 13 residues - 1527.676 Da.

1

LEU

GLY

GLN

PRO

PHE

PRO

GLN

2

GLN

PRO

TYR

Samples:

sample_1: P31-43 1.5 uM

sample_conditions_1: ionic strength: 1 mM; pH: 5; pressure: 1 atm; temperature: 298 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
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

VNMR, Varian - processing

NMR spectrometers:

Varian Uniform NMR System 600 MHz