1H, 13C and 15N Chemical shift assignments of the thioredoxin from the anaerobic bacteria Desulfovibrio vulgaris Hildenborough
HHHHHHMAAQ ITDATFEASV LKSAIPVLID FWAPWCGPCR AMGPVIDELA AEYEGKVLIV KMNVDDNPAT PSKYGIRAIP TLILFKNGEV VEQVTGAVSK SSIKDMIAQK ALG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.0 % (1170 of 1286) | 92.4 % (610 of 660) | 88.5 % (453 of 512) | 93.9 % (107 of 114) |
Backbone | 91.6 % (608 of 664) | 92.0 % (208 of 226) | 90.7 % (301 of 332) | 93.4 % (99 of 106) |
Sidechain | 89.3 % (650 of 728) | 90.3 % (392 of 434) | 87.4 % (250 of 286) | 100.0 % (8 of 8) |
Aromatic | 59.6 % (56 of 94) | 70.2 % (33 of 47) | 46.7 % (21 of 45) | 100.0 % (2 of 2) |
Methyl | 98.6 % (144 of 146) | 97.3 % (71 of 73) | 100.0 % (73 of 73) |
1. Thioredoxin
HHHHHHMAAQ ITDATFEASV LKSAIPVLID FWAPWCGPCR AMGPVIDELA AEYEGKVLIV KMNVDDNPAT PSKYGIRAIP TLILFKNGEV VEQVTGAVSK SSIKDMIAQK ALGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced thioredoxin | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | Potassium phosphate | natural abundance | 50 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr17300_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HHHHHHMAAQITDATFEASVLKSAIPVLIDFWAPWCGPCRAMGPVIDELAAEYEGKVLIVKMNVDDNPATPSKYGIRAIPTLILFKNGEVVEQVTGAVSK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ......MAAQITDATFEASVLKSAIPVLIDFWAPWCGPCRAMGPVIDELAAEYEGKVLIVKMNVDDNPATPSKYGIRAIPTLILFKNGEVVEQVTGAVSK -------110--- SSIKDMIAQKALG ||||||||||||| SSIKDMIAQKALG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
10 | GLN | CD | 181.001 |
17 | GLU | CD | 183.06 |
47 | ASP | CG | 179.732 |
48 | GLU | CD | 183.4 |
52 | GLU | CD | 182.294 |
54 | GLU | CD | 183.345 |
63 | ASN | CG | 174.639 |
66 | ASP | CG | 178.636 |
67 | ASN | CG | 169.623 |
87 | ASN | CG | 178.261 |
89 | GLU | CD | 183.838 |
92 | GLU | CD | 181.472 |
93 | GLN | CD | 178.814 |
105 | ASP | CG | 178.91 |
109 | GLN | CD | 180.333 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 660 | 616 | 93.3 |
13C chemical shifts | 512 | 458 | 89.5 |
15N chemical shifts | 116 | 110 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 226 | 214 | 94.7 |
13C chemical shifts | 226 | 206 | 91.2 |
15N chemical shifts | 106 | 100 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 434 | 402 | 92.6 |
13C chemical shifts | 286 | 252 | 88.1 |
15N chemical shifts | 10 | 10 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 75 | 97.4 |
13C chemical shifts | 77 | 76 | 98.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 30 | 63.8 |
13C chemical shifts | 45 | 18 | 40.0 |
15N chemical shifts | 2 | 2 | 100.0 |