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BMRB: 30869

7LVE

Jug R 2 N-Terminal Fragment 3

Authors

Mueller, G.A., Foo, A.C.Y., DeRose, E.F.

Assembly

Vicilin Jug r 2.0101

Entity

1. Vicilin Jug r 2.0101 (polymer, Thiol state: all disulfide bound), 47 monomers, 5904.434 Da Detail

GMQDPQQQYH RCQRRCQIQE QSPERQRQCQ QRCERQYKEQ QGRERGP

Formula weight

5904.434 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS12:SG	1:CYS33:SG
2	disulfide	sing	1:CYS16:SG	1:CYS29:SG

Source organism

Exptl. method

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 89.4 %, Completeness: 54.4 %, Completeness (bb): 72.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.4 % (326 of 599)	47.1 % (156 of 331)	66.0 % (132 of 200)	55.9 % (38 of 68)
Backbone	72.1 % (199 of 276)	83.0 % (78 of 94)	60.1 % (83 of 138)	86.4 % (38 of 44)
Sidechain	45.5 % (167 of 367)	32.9 % (78 of 237)	84.0 % (89 of 106)	0.0 % (0 of 24)
Aromatic	40.0 % (8 of 20)	40.0 % (4 of 10)	40.0 % (4 of 10)
Methyl	100.0 % (4 of 4)	100.0 % (2 of 2)	100.0 % (2 of 2)

1. entity 1

GMQDPQQQYH RCQRRCQIQE QSPERQRQCQ QRCERQYKEQ QGRERGP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

Release date

2021-03-06

Citation

Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides
Foo, A., Nesbit, J.B., Gipson, S., Cheng, H., Bushel, P., DeRose, E.F., Schein, C.H., Teuber, S.S., Hurlburt, B.K., Maleki, S.J., Mueller, G.A.
J. Agric. Food Chem. (2022), 70, 2389-2400, PubMed 35139305 , DOI 10.1021/acs.jafc.1c07225 , Abstract

Related entities 1. Vicilin Jug r 2.0101, : 1 : 1 : 9 entities Detail

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

2 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

3 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

6 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

7 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

8 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

9 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	Sodium trimethylsilylpropanesulfonate (DSS)	natural abundance		50 uM

nullKeywords ALLERGEN, Seed storage