SOLUTION STRUCTURE OF LYS42 ACETYLATED HUMAN SUMO2
MGSSHHHHHH SQDPMADEKP KEGVKTENND HINLKVAGQD GSVVQFKIKR HTPLSXLMKA YCERQGLSMR QIRFRFDGQP INETDTPAQL EMEDEDTIDV FQQQTGG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.1 % (1069 of 1228) | 87.2 % (565 of 648) | 86.2 % (401 of 465) | 89.6 % (103 of 115) |
Backbone | 86.7 % (543 of 626) | 87.4 % (188 of 215) | 85.5 % (265 of 310) | 89.1 % (90 of 101) |
Sidechain | 87.3 % (611 of 700) | 87.1 % (377 of 433) | 87.4 % (221 of 253) | 92.9 % (13 of 14) |
Aromatic | 68.8 % (55 of 80) | 70.0 % (28 of 40) | 67.5 % (27 of 40) | |
Methyl | 100.0 % (80 of 80) | 100.0 % (40 of 40) | 100.0 % (40 of 40) |
1. Small ubiquitin-related modifier 2
MGSSHHHHHH SQDPMADEKP KEGVKTENND HINLKVAGQD GSVVQFKIKR HTPLSXLMKA YCERQGLSMR QIRFRFDGQP INETDTPAQL EMEDEDTIDV FQQQTGGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | 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 | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N; U-80% 2H] SUMO2 K42Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 2 mM | |
2 | EDTA | natural abundance | 0.1 mM | |
3 | SUMO2 K42Ac | [U-100% 13C; U-100% 15N; U-80% 2H] | protein | 1 mM |
4 | potassium chloride | natural abundance | salt | 100 mM |
5 | potassium phosphate | natural abundance | buffer | 10 mM |
6 | sodium azide | natural abundance | 0.001 % | |
7 | H2O | natural abundance | solvent | 90 % |
8 | D2O | [U-2H] | solvent | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_36006_5ghb.nef |
Input source #2: Coordindates | 5ghb.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:55:SER:C | 1:56:ALY:N | unknown | unknown | n/a |
1:56:ALY:C | 1:57:LEU:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 42 | ALY | N(6)-ACETYLLYSINE | Assigned chemical shifts, Coordinates |
Sequence alignments
----------------------10--------20--------30--------40--------50--------60--------70--------80------ MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 --90--- FQQQTGG ||||||| FQQQTGG -------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 107 | 0 | 0 | 100.0 |
Content subtype: combined_36006_5ghb.nef
Assigned chemical shifts
----------------------10--------20--------30--------40--------50--------60--------70--------80------ MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..............MADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV --90--- FQQQTGG ||||||| FQQQTGG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
42 | ALY | HZ | 8.013 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 659 | 579 | 87.9 |
13C chemical shifts | 467 | 399 | 85.4 |
15N chemical shifts | 120 | 105 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 216 | 188 | 87.0 |
13C chemical shifts | 212 | 178 | 84.0 |
15N chemical shifts | 101 | 88 | 87.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 443 | 391 | 88.3 |
13C chemical shifts | 255 | 221 | 86.7 |
15N chemical shifts | 19 | 17 | 89.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 45 | 97.8 |
13C chemical shifts | 46 | 44 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 40 | 28 | 70.0 |
13C chemical shifts | 40 | 27 | 67.5 |
Covalent bonds
Distance restraints
----------------------10--------20--------30--------40--------50--------60--------70--------80------ MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV ||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||| ..............MADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLS.LMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV --90--- FQQQTGG ||||||| FQQQTGG
Dihedral angle restraints
----------------------10--------20--------30--------40--------50--------60--------70--------80------ MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV ||| ||||||||||||||||||||||||| ||||||||||||||||||||||||||||| |||||||||||||| ...............ADE............HINLKVAGQDGSVVQFKIKRHTPLS.LMKAYCERQGLSMRQIRFRFDGQPINETD.PAQLEMEDEDTIDV ----------------------10--------20--------30--------40--------50--------60--------70--------80------ --90--- FQQQTGG ||| FQQ ---
RDC restraints
----------------------10--------20--------30--------40--------50--------60--------70--------80------ MGSSHHHHHHSQDPMADEKPKEGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSXLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDV | || | | |||| || | |||| ||||||| ||| | ||| | || ||| | ||| || ||| | ||||| | ...............A.EK.K.G.KTEN.DH..L.VAGQ.GSVVQFK..RHT.L.....AYC..Q.LS..QIR.R.DGQ.IN.TDT.....M.DEDTI.V --90--- FQQQTGG ||||||| FQQQTGG