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BMRB: 17637

2LV3

1H, 13C, and 15N NMR resonance assignments of reduced full length and shortened forms of the Grx domain of Mus musculus TGR

Authors

Shumilina, E., Solda, A., Gerashchenko, M., Gladyshev, V.N., Dikiy, A.

Assembly

short Grx domain

Entity

1. short Grx domain (polymer, Thiol state: all free), 102 monomers, 11641.08 Da Detail

AREELRRRLR DLIEGNRVMI FSKSYCPHST RVKELFSSLG VVYNILELDQ VDDGASVQEV LTEISNQKTV PNIFVNKVHV GGCDRTFQAH QNGLLQKLLQ DD

Formula weight

11641.08 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 84.6 %, Completeness (bb): 83.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.6 % (1018 of 1203)	91.1 % (572 of 628)	72.3 % (334 of 462)	99.1 % (112 of 113)
Backbone	83.9 % (510 of 608)	96.6 % (201 of 208)	70.0 % (210 of 300)	99.0 % (99 of 100)
Sidechain	87.3 % (603 of 691)	88.3 % (371 of 420)	84.9 % (219 of 258)	100.0 % (13 of 13)
Aromatic	29.4 % (20 of 68)	44.1 % (15 of 34)	14.7 % (5 of 34)
Methyl	100.0 % (126 of 126)	100.0 % (63 of 63)	100.0 % (63 of 63)

1. shortened Grx domain of Mus musculus TGR

AREELRRRLR DLIEGNRVMI FSKSYCPHST RVKELFSSLG VVYNILELDQ VDDGASVQEV LTEISNQKTV PNIFVNKVHV GGCDRTFQAH QNGLLQKLLQ DD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Release date

2011-09-12

Citation

¹H, ¹³C, and ¹⁵N NMR resonance assignments of reduced full length and shortened forms of the Grx domain of Mus musculus TGR
Shumilina, E., Solda, A., Gerashchenko, M., Gladyshev, V.N., Dikiy, A.
Biomol. NMR Assign. (2012), 6, 103-107, PubMed 21901408 , DOI 10.1007/s12104-011-9335-0 , Abstract

Related entities 1. short Grx domain, : 1 : 1 : 289 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

9 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

10 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

12 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	shortened Grx domain of Mus musculus TGR	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		10 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17637_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: bmr17637_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1121		99.0 (chain: 1, length: 102)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 102, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 697
  - ¹³C chemical shifts: 312
  - ¹⁵N chemical shifts: 112
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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