BMRBj - BMREntryMaster

Found 1 Document (1.597 seconds)

BMRB: 6529

2LVF

Assignment of 1H, 13C and 15N resonances of the 2S albumin Ber e 1 from Brazilian nut

Authors

Tengel, T., Alcocer, M.J.C., Schleucher, J., Larsson, G.

Assembly

Ber e 1 monomer

Entity

1. Ber e 1 monomer (polymer, Thiol state: all disulfide bound), 114 monomers, 13630.83 Da Detail

EAEAQEECRE QMQRQQMLSH CRMYMRQQME ESTYQTMPRR GMEPHMSECC EQLEGMDESC RCEGLRMMMR MMQQKEMQPR GEQMRRMMRL AENIPSRCNL SPMRCPMGGS IAGF

Formula weight

13630.83 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS50:SG	1:CYS98:SG
2	disulfide	sing	1:CYS21:SG	1:CYS49:SG
3	disulfide	sing	1:CYS8:SG	1:CYS60:SG
4	disulfide	sing	1:CYS62:SG	1:CYS105:SG

Source organism

Bertholletia excelsa

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.6 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.6 % (1283 of 1342)	95.9 % (700 of 730)	94.5 % (462 of 489)	98.4 % (121 of 123)
Backbone	98.2 % (660 of 672)	98.7 % (226 of 229)	97.6 % (327 of 335)	99.1 % (107 of 108)
Sidechain	94.0 % (730 of 777)	94.6 % (474 of 501)	92.7 % (242 of 261)	93.3 % (14 of 15)
Aromatic	26.5 % (9 of 34)	52.9 % (9 of 17)	0.0 % (0 of 17)
Methyl	95.0 % (38 of 40)	95.0 % (19 of 20)	95.0 % (19 of 20)

1. 2S sulfur-rich seed storage protein from Brazil nut

EAEAQEECRE QMQRQQMLSH CRMYMRQQME ESTYQTMPRR GMEPHMSECC EQLEGMDESC RCEGLRMMMR MMQQKEMQPR GEQMRRMMRL AENIPSRCNL SPMRCPMGGS IAGF

Show sample condition

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	4.7 ppm	external	indirect	0.2514495
¹H	H2O	protons	4.7 ppm	internal	direct	1.0
¹⁵N	H2O	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	4.7 ppm	external	indirect	0.2514495
¹H	H2O	protons	4.7 ppm	internal	direct	1.0
¹⁵N	H2O	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	4.7 ppm	external	indirect	0.2514495
¹H	H2O	protons	4.7 ppm	internal	direct	1.0
¹⁵N	H2O	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	4.7 ppm	external	indirect	0.2514495
¹H	H2O	protons	4.7 ppm	internal	direct	1.0
¹⁵N	H2O	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: -0.23 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 12 models in PDB: 2LVF, Strand ID: A Detail

Release date

2006-04-05

Citation

Complete Assignment and Secondary Structure of the Brazil Nut Allergen Ber e 1
Tengel, T., Alcocer, M.J.C., Schleucher, J., Larsson, G.
J. Biomol. NMR (2005), 32, 336-336, PubMed , DOI 10.1007/s10858-005-8875-y

Related entities 1. Ber e 1 monomer, : 1 : 28 entities Detail

Experiments performed 11 experiments Detail

1 13C-NOESY

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

2 15N-NOESY

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

3 CBCACONH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

4 CBCANH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

5 HACANH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

6 HBHACONH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

7 hCCCONH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

8 HNCO

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

9 HccCONH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

10 HNHA

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

11 LRCH

Instrument

Model Bruker DRX (cryo probe) (600 MHz)

Sample #1

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
1	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
2	Sodium phosphate buffer		20 mM
3	Sodium azide		1 mM
4	H2O		10 %
5	D2O		90 %

Sample #2

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 13C, 15N labeled Ber e 1 pH 5.8 D2O

#	Name	Isotope labeling	Concentration
6	2S sulfur-rich seed storage protein from Brazil nut	[U-13C; U-15N]	1 mM
7	Sodium phosphate buffer		20 mM
8	Sodium azide		1 mM
9	D2O		100 %

Sample #3

Temperature 303 (±0.05) K, pH 5.8 (±0.05), Details 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1)

#	Name	Isotope labeling	Concentration
10	2S sulfur-rich seed storage protein from Brazil nut	[U-15N]	1 mM
11	Sodium phosphate buffer		20 mM
12	Sodium azide		1 mM
13	H2O		10 %
14	D2O		90 %

nullKeywords 2S Albumin, Ber e1, Brazilian nut, NMR assignment, secondary structure

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Found 1 Document (1.597 seconds)

BMRB: 6529

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Ber e 1 monomer, : 1 : 28 entities Detail

Experiments performed 11 experiments Detail

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