BMRBj - BMREntryMaster

Found 1 Document (1.389 seconds)

BMRB: 5605

2K7H

Sequence-specific 1H, 13C and 15N resonance assignments of SAM22, an allergenic stress-induced protein from soy bean

Authors

Neudecker, P., Lehmann, K., Roesch, P.

Assembly

SAM22

Entity

1. SAM22 (polymer, Thiol state: not present), 157 monomers, 16640.39 Da Detail

GVFTFEDEIN SPVAPATLYK ALVTDADNVI PKALDSFKSV ENVEGNGGPG TIKKITFLED GETKFVLHKI ESIDEANLGY SYSVVGGAAL PDTAEKITFD SKLVAGPNGG SAGKLTVKYE TKGDAEPNQD ELKTGKAKAD ALFKAIEAYL LAHPDYN

Formula weight

16640.39 Da

Source organism

Glycine max

Exptl. method

NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.0 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.0 % (1644 of 1749)	96.4 % (866 of 898)	89.8 % (622 of 693)	98.7 % (156 of 158)
Backbone	97.1 % (899 of 926)	96.6 % (310 of 321)	96.9 % (442 of 456)	98.7 % (147 of 149)
Sidechain	90.7 % (875 of 965)	95.3 % (550 of 577)	83.4 % (316 of 379)	100.0 % (9 of 9)
Aromatic	50.8 % (64 of 126)	93.7 % (59 of 63)	7.9 % (5 of 63)
Methyl	100.0 % (186 of 186)	100.0 % (93 of 93)	100.0 % (93 of 93)

1. SAM22

GVFTFEDEIN SPVAPATLYK ALVTDADNVI PKALDSFKSV ENVEGNGGPG TIKKITFLED GETKFVLHKI ESIDEANLGY SYSVVGGAAL PDTAEKITFD SKLVAGPNGG SAGKLTVKYE TKGDAEPNQD ELKTGKAKAD ALFKAIEAYL LAHPDYN

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.32 ppm, Outliers: 1 Detail

Coupling constant

89 J values in 1 lists
Temperature 298 (±1) K, pH 7.0 (±0.2) Detail

Release date

2003-05-01

Citation

Sequence-specific 1H, 13C and 15N resonance assignments of SAM22, an allergenic stress-induced protein from soy bean
Neudecker, P., Lehmann, K., Roesch, P.
J. Biomol. NMR (2003), 26, 191-192, PubMed 12766416 , DOI: , Abstract

Related entities 1. SAM22, : 1 : 2 : 200 entities Detail

Experiments performed 20 experiments Detail

1 2D TOCSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

2 2D NOESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

3 1H,15N HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

4 HNHA

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

5 3D 1H,15N-TOCSY-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

6 3D 1H,15N-NOESY-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

7 3D 1H,15N/1H,15N-HMQC-NOESY-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

8 1H,13C CTHSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

9 HNCO

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

10 HNCA

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

11 HNCACB

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

12 CBCA(CO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

13 HBHA(CBCACO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

14 C(CO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

15 H(CCO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

16 H(C)CH-COSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

17 (H)CCH-COSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

18 HC(C)H-TOCSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

19 3D 1H,13C-NOESY-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

20 3D 1H,13C/1H,15N-HMQC-NOESY-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	SAM22	[U-99% 15N]		1.5 mM

Sample #2

Temperature 298 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	SAM22	[U-99% 13C; U-99% 15N]		0.7 ~ 1.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5605_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5605_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1863		100.0 (chain: 1, length: 157)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 157, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 1076
  - ¹³C chemical shifts: 630
  - ¹⁵N chemical shifts: 157
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
10	ASN	CG	177.32
28	ASN	CG	176.64
42	ASN	CG	175.43
46	ASN	CG	177.86
51	THR	HG1	6.37
77	ASN	CG	177.81
108	ASN	CG	178.24
128	ASN	CG	176.28
129	GLN	CD	179.95
157	ASN	CG	177.93

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	321	320	99.7
¹³C chemical shifts	314	305	97.1
¹⁵N chemical shifts	149	148	99.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	898	889	99.0
¹³C chemical shifts	693	621	89.6
¹⁵N chemical shifts	158	157	99.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	577	569	98.6
¹³C chemical shifts	379	316	83.4
¹⁵N chemical shifts	9	9	100.0

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Found 1 Document (1.389 seconds)

BMRB: 5605

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Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SAM22, : 1 : 2 : 200 entities Detail

Experiments performed 20 experiments Detail

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