Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum
MSVKIGDIDG NGEISSIDYA ILKSHLINSN LTFKQLAAAD VDGNGYVNSI DLAILQMYLL GKGGTSDIGK NRIYTYGDID NNGIVDENDY ILICNHINGT GQLSDASLFA ADADGNNVID QTDRILIEKY ITGRITHLPV GNQLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.9 % (1579 of 1681) | 93.6 % (804 of 859) | 93.9 % (613 of 653) | 95.9 % (162 of 169) |
Backbone | 95.9 % (867 of 904) | 95.3 % (302 of 317) | 96.3 % (421 of 437) | 96.0 % (144 of 150) |
Sidechain | 92.3 % (842 of 912) | 92.6 % (502 of 542) | 91.7 % (322 of 351) | 94.7 % (18 of 19) |
Aromatic | 64.3 % (72 of 112) | 64.3 % (36 of 56) | 64.3 % (36 of 56) | |
Methyl | 98.4 % (189 of 192) | 97.9 % (94 of 96) | 99.0 % (95 of 96) |
1. dDoc 0689
MSVKIGDIDG NGEISSIDYA ILKSHLINSN LTFKQLAAAD VDGNGYVNSI DLAILQMYLL GKGGTSDIGK NRIYTYGDID NNGIVDENDY ILICNHINGT GQLSDASLFA ADADGNNVID QTDRILIEKY ITGRITHLPV GNQLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dDoc_0689 | [U-13C; U-15N] | proteni | 0.6 (±0.1) mM |
2 | sodium acetate | natural abundance | buffer | 50 mM |
3 | potassium chloride | natural abundance | salt | 50 mM |
4 | CaCl2 | natural abundance | salt | 10 mM |
5 | DTT | natural abundance | 3 mM | |
6 | DSS | natural abundance | 0.02 % w/v | |
7 | protease inhibitor cocktail (Roche) | natural abundance | 0.4 tablet/100mL | |
8 | H2O | natural abundance | solvent | 90 % |
9 | D2O | [U-2H] | solvent | 10 % |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr12024_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSVKIGDIDGNGEISSIDYAILKSHLINSNLTFKQLAAADVDGNGYVNSIDLAILQMYLLGKGGTSDIGKNRIYTYGDIDNNGIVDENDYILICNHINGT ||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SVKIGDIDGNGEISSIDYAILKSHLIN..LTFKQLAAADVDGNGYVNSIDLAILQMYLLGKGGTSDIGKNRIYTYGDIDNNGIVDENDYILICNHINGT -------110-------120-------130-------140-------150- GQLSDASLFAADADGNNVIDQTDRILIEKYITGRITHLPVGNQLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||| GQLSDASLFAADADGNNVIDQTDRILIEKYITGRITHLPVGNQLEHHHHHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 859 | 814 | 94.8 |
13C chemical shifts | 653 | 615 | 94.2 |
15N chemical shifts | 172 | 163 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 317 | 306 | 96.5 |
13C chemical shifts | 302 | 291 | 96.4 |
15N chemical shifts | 150 | 142 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 542 | 508 | 93.7 |
13C chemical shifts | 351 | 324 | 92.3 |
15N chemical shifts | 22 | 21 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 98 | 97 | 99.0 |
13C chemical shifts | 98 | 97 | 99.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 36 | 64.3 |
13C chemical shifts | 56 | 36 | 64.3 |