1H, 13C, and 15N Chemical Shifts Assignments for Human Sulfiredoxin (srx)
GAPEGPGPSG GAQGGSIHSG RIAAVHNVPL SVLIRPLPSV LDPAKVQSLV DTIREDPDSV PPIDVLWIKG AQGGDYFYSF GGCHRYAAYQ QLQRETIPAK LVQSTLSDLR VYLGASTPDL Q
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.1 % (1206 of 1339) | 96.5 % (669 of 693) | 79.7 % (420 of 527) | 98.3 % (117 of 119) |
Backbone | 83.9 % (589 of 702) | 96.7 % (236 of 244) | 70.5 % (246 of 349) | 98.2 % (107 of 109) |
Sidechain | 96.6 % (719 of 744) | 95.8 % (430 of 449) | 98.2 % (280 of 285) | 90.0 % (9 of 10) |
Aromatic | 100.0 % (84 of 84) | 100.0 % (42 of 42) | 100.0 % (41 of 41) | 100.0 % (1 of 1) |
Methyl | 99.3 % (143 of 144) | 98.6 % (71 of 72) | 100.0 % (72 of 72) |
1. sulfiredoxin
GAPEGPGPSG GAQGGSIHSG RIAAVHNVPL SVLIRPLPSV LDPAKVQSLV DTIREDPDSV PPIDVLWIKG AQGGDYFYSF GGCHRYAAYQ QLQRETIPAK LVQSTLSDLR VYLGASTPDL QTemperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sulfiredoxin | [U-15N] | 0.7 (±0.1) mM | |
2 | sodium phosphate | 50 (±1.0) mM | ||
3 | NaCl | 100 (±1.0) mM | ||
4 | DTT | 2 (±0.1) mM |
Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.101329 |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sulfiredoxin | [U-15N] | 0.7 (±0.1) mM | |
2 | sodium phosphate | 50 (±1.0) mM | ||
3 | NaCl | 100 (±1.0) mM | ||
4 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sulfiredoxin | [U-15N] | 0.7 (±0.1) mM | |
2 | sodium phosphate | 50 (±1.0) mM | ||
3 | NaCl | 100 (±1.0) mM | ||
4 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Bruker Avance - 800 MHz
State isotropic, Temperature 300 (±.1) K, pH 7.3 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sulfiredoxin | [U-15N; U-13C] | 0.7 (±0.1) mM | |
6 | sodium phosphate | 50 (±1.0) mM | ||
7 | NaCl | 100 (±1.0) mM | ||
8 | DTT | 2 (±0.1) mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr6590_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAPEGPGPSGGAQGGSIHSGRIAAVHNVPLSVLIRPLPSVLDPAKVQSLVDTIREDPDSVPPIDVLWIKGAQGGDYFYSFGGCHRYAAYQQLQRETIPAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAPEGPGPSGGAQGGSIHSGRIAAVHNVPLSVLIRPLPSVLDPAKVQSLVDTIREDPDSVPPIDVLWIKGAQGGDYFYSFGGCHRYAAYQQLQRETIPAK -------110-------120- LVQSTLSDLRVYLGASTPDLQ ||||||||||||||||||||| LVQSTLSDLRVYLGASTPDLQ
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
79 | SER | HG | 5.58 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 527 | 401 | 76.1 |
1H chemical shifts | 693 | 675 | 97.4 |
15N chemical shifts | 125 | 118 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 242 | 121 | 50.0 |
1H chemical shifts | 244 | 241 | 98.8 |
15N chemical shifts | 109 | 108 | 99.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 285 | 280 | 98.2 |
1H chemical shifts | 449 | 434 | 96.7 |
15N chemical shifts | 16 | 10 | 62.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 72 | 72 | 100.0 |
1H chemical shifts | 72 | 72 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 41 | 41 | 100.0 |
1H chemical shifts | 42 | 42 | 100.0 |
15N chemical shifts | 1 | 1 | 100.0 |