BMRB Entry 30870

Name: Jug R 2 Leader Sequence Residues 1-57
Published: 2022-01-28

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PDB ID: 7lvf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30870
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Jug R 2 Leader Sequence Residues 1-57 PubMed: 35139305

Deposition date: 2021-02-25 Original release date: 2022-01-28

Authors: Mueller, G.; Foo, A.; DeRose, E.

Citation: Foo, Alexander; Nesbit, Jacqueline; Gipson, Stephen; Cheng, Hsiaopo; Bushel, Pierre; DeRose, Eugene; Schein, Catherine; Teuber, Suzanne; Hurlburt, Barry; Maleki, Soheila; Mueller, Geoffrey. "Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides" J. Agric. Food Chem. 70, 2389-2400 (2022).

Assembly members:
entity_1, polymer, 57 residues, 7214.675 Da.

Natural source: Common Name: English walnut Taxonomy ID: 51240 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Juglans regia

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21

Entity Sequences (FASTA):
entity_1: MRGRDDDDEENPRDPREQYR QCQEYCRRQGQGQRQQQQCQ IRCEERLEEDQRSQEER

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	168
15N chemical shifts	54
1H chemical shifts	232

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 57 residues - 7214.675 Da.

1

MET

ARG

GLY

ARG

ASP

GLU

2

ASN

PRO

ARG

ASP

PRO

ARG

GLU

GLN

TYR

ARG

3

GLN

CYS

GLN

GLU

TYR

CYS

ARG

GLN

GLY

4

GLN

GLY

GLN

ARG

GLN

CYS

GLN

5

ILE

ARG

CYS

GLU

ARG

LEU

GLU

ASP

6

GLN

ARG

SER

GLN

GLU

ARG

Samples:

sample_1: entity_1 mM; Sodium trimethylsilylpropanesulfonate 50 uM

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

TALOS, Cornilescu, Delaglio and Bax - structure calculation

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts