BMRB Entry 30869

Title:
Jug R 2 N-Terminal Fragment 3
Deposition date:
2021-02-25
Original release date:
2022-01-28
Authors:
Mueller, G.; Foo, A.; DeRose, E.
Citation:

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).
PubMed: 35139305

Assembly members:

Assembly members:
entity_1, polymer, 47 residues, 5915.524 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GMQDPQQQYHRCQRRCQIQE QSPERQRQCQQRCERQYKEQ QGRERGP

Data typeCount
13C chemical shifts131
15N chemical shifts38
1H chemical shifts160

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 47 residues - 5915.524 Da.

1   GLYMETGLNASPPROGLNGLNGLNTYRHIS
2   ARGCYSGLNARGARGCYSGLNILEGLNGLU
3   GLNSERPROGLUARGGLNARGGLNCYSGLN
4   GLNARGCYSGLUARGGLNTYRLYSGLUGLN
5   GLNGLYARGGLUARGGLYPRO

Samples:

sample_1: entity_1 uM; Sodium trimethylsilylpropanesulfonate (DSS) 50 uM

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

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_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 peaks
SPARKY: Backbone or all simulated peaks