NMR resonance assignments for the tetramethylrhodamine binding RNA aptamer 3 in complex with the ligand 5-carboxy-tetramethylrhodamine
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | 31P | |
---|---|---|---|---|---|
All | 88.7 % (720 of 812) | 93.3 % (390 of 418) | 94.7 % (303 of 320) | 92.3 % (24 of 26) | 6.3 % (3 of 48) |
Suger, PO4 | 84.7 % (488 of 576) | 91.0 % (262 of 288) | 92.9 % (223 of 240) | 6.3 % (3 of 48) | |
Nucleobase | 98.3 % (232 of 236) | 98.5 % (128 of 130) | 100.0 % (80 of 80) | 92.3 % (24 of 26) | |
Aromatic | 98.1 % (208 of 212) | 98.1 % (104 of 106) | 100.0 % (80 of 80) | 92.3 % (24 of 26) |
1. TMR-3 48nt
GGACGACUGA ACCGAAAGGU UCUUGGCUGC UUCGGCAGAG GUACGUCCSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TMR-3_48nt | natural abundance | 1.2 (±0.1) mM | |
2 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
3 | D2O | natural abundance | 5 v/v | |
4 | sodium chloride | natural abundance | 10 mM | |
5 | Na-Glutamate | natural abundance | 130 mM | |
6 | H2O | natural abundance | 95 v/v |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TMR-3_48nt | [U-13C; U-15N] | 1.2 (±0.1) mM | |
8 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
9 | D2O | natural abundance | 5 v/v | |
10 | H2O | natural abundance | 95 v/v | |
11 | sodium chloride | natural abundance | 10 mM | |
12 | Na-Glutamate | natural abundance | 130 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
20 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
21 | D2O | natural abundance | 5 v/v | |
22 | H2O | natural abundance | 95 v/v | |
23 | sodium chloride | natural abundance | 10 mM | |
24 | K-glutamate | natural abundance | 130 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TMR-3_48nt | [U-13C; U-15N] | 1.2 (±0.1) mM | |
8 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
9 | D2O | natural abundance | 5 v/v | |
10 | H2O | natural abundance | 95 v/v | |
11 | sodium chloride | natural abundance | 10 mM | |
12 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TMR-3_48nt | [U-13C; U-15N] | 1.2 (±0.1) mM | |
8 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
9 | D2O | natural abundance | 5 v/v | |
10 | H2O | natural abundance | 95 v/v | |
11 | sodium chloride | natural abundance | 10 mM | |
12 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
20 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
21 | D2O | natural abundance | 5 v/v | |
22 | H2O | natural abundance | 95 v/v | |
23 | sodium chloride | natural abundance | 10 mM | |
24 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 950 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | TMR-3_48nt | [U-15N] | 1.2 (±0.1) mM | |
14 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
15 | D2O | natural abundance | 5 v/v | |
16 | H2O | natural abundance | 95 v/v | |
17 | sodium chloride | natural abundance | 10 mM | |
18 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 800 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 800 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 800 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
20 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
21 | D2O | natural abundance | 5 v/v | |
22 | H2O | natural abundance | 95 v/v | |
23 | sodium chloride | natural abundance | 10 mM | |
24 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 700 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 700 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 700 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 700 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TMR-3_48nt | natural abundance | 1.2 (±0.1) mM | |
2 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
3 | D2O | natural abundance | 5 v/v | |
4 | sodium chloride | natural abundance | 10 mM | |
5 | Na-Glutamate | natural abundance | 130 mM | |
6 | H2O | natural abundance | 95 v/v |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
26 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
27 | D2O | natural abundance | 5 v/v | |
28 | H2O | natural abundance | 95 v/v | |
29 | sodium chloride | natural abundance | 10 mM | |
30 | Na-Glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,31P]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
31 | TMR-3_48nt | [U-13C; U-15N]-Ade,Cyt | 1.2 (±0.1) mM | |
32 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
33 | D2O | natural abundance | 100 v/v | |
34 | sodium chloride | natural abundance | 10 mM | |
35 | K-glutamate | natural abundance | 130 mM |
Bruker Avance - 600 MHz 5 mm z-gradient 1H,[13C,31P]-TCI cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
36 | TMR-3_48nt | [U-13C; U-15N]-Gua,Ura | 1.2 (±0.1) mM | |
37 | 5-Carboxy-Tetramethylrhodamine | natural abundance | 1.4 (±0.2) mM | |
38 | D2O | natural abundance | 100 v/v | |
39 | sodium chloride | natural abundance | 10 mM | |
40 | Na-Glutamate | natural abundance | 130 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_26842_6gzr.nef |
Input source #2: Coordindates | 6gzr.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 | None |
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)
NoneNon-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | FH8 | 5-carboxy methylrhodamine | None |
Sequence alignments
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC |||||||||||||||||||||||||||||||||||||||||||||||| GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 48 | 0 | 0 | 100.0 |
Content subtype: combined_26842_6gzr.nef
Assigned chemical shifts
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC |||||||||||||||||||||||||||||||||||||||||||||||| GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
1 | G | C5 | 118.551 |
1 | G | N9 | 169.149 |
2 | G | C5 | 118.634 |
2 | G | N2 | 74.018 |
2 | G | N9 | 169.321 |
3 | A | C4 | 148.473 |
3 | A | C5 | 120.312 |
3 | A | C6 | 157.414 |
3 | A | N1 | 222.326 |
3 | A | N3 | 211.613 |
3 | A | N6 | 83.727 |
3 | A | N9 | 170.704 |
4 | C | C4 | 151.049 |
4 | C | N1 | 149.779 |
4 | C | N3 | 195.87 |
4 | C | N4 | 98.155 |
5 | G | C4 | 151.162 |
5 | G | C5 | 118.035 |
5 | G | N2 | 74.918 |
5 | G | N7 | 234.022 |
5 | G | N9 | 168.424 |
6 | A | C4 | 148.245 |
6 | A | C5 | 120.112 |
6 | A | C6 | 157.193 |
6 | A | N1 | 224.497 |
6 | A | N3 | 210.946 |
6 | A | N6 | 82.205 |
6 | A | N7 | 230.059 |
6 | A | N9 | 170.416 |
7 | C | N1 | 151.37 |
7 | C | N3 | 195.641 |
7 | C | N4 | 97.235 |
8 | U | C2 | 152.35 |
8 | U | C4 | 169.604 |
8 | U | N1 | 147.085 |
9 | G | H21 | 8.418 |
9 | G | H22 | 6.424 |
9 | G | C5 | 118.558 |
9 | G | N2 | 75.994 |
9 | G | N7 | 235.181 |
9 | G | N9 | 169.914 |
10 | A | H61 | 8.452 |
10 | A | H62 | 6.773 |
10 | A | C4 | 148.398 |
10 | A | C5 | 120.971 |
10 | A | C6 | 157.398 |
10 | A | N1 | 221.542 |
10 | A | N3 | 212.091 |
10 | A | N6 | 82.867 |
10 | A | N9 | 169.882 |
11 | A | H61 | 8.207 |
11 | A | H62 | 6.808 |
11 | A | C4 | 148.325 |
11 | A | C5 | 120.446 |
11 | A | C6 | 157.646 |
11 | A | N1 | 222.236 |
11 | A | N3 | 211.321 |
11 | A | N6 | 84.844 |
11 | A | N7 | 229.359 |
11 | A | N9 | 171.149 |
12 | C | N1 | 151.017 |
12 | C | N3 | 197.159 |
12 | C | N4 | 98.676 |
13 | C | N1 | 150.357 |
13 | C | N3 | 194.707 |
13 | C | N4 | 98.259 |
14 | G | C5 | 118.947 |
14 | G | N9 | 170.16 |
15 | A | C4 | 149.045 |
15 | A | C5 | 119.989 |
15 | A | C6 | 156.329 |
15 | A | N1 | 223.571 |
15 | A | N3 | 215.702 |
15 | A | N6 | 78.05 |
15 | A | N7 | 228.341 |
15 | A | N9 | 169.308 |
16 | A | H61 | 6.494 |
16 | A | H62 | 6.494 |
16 | A | C4 | 147.966 |
16 | A | C5 | 119.643 |
16 | A | C6 | 155.818 |
16 | A | N1 | 223.563 |
16 | A | N3 | 215.68 |
16 | A | N6 | 79.003 |
16 | A | N7 | 226.254 |
16 | A | N9 | 169.786 |
16 | A | P | -0.111 |
17 | A | C4 | 148.362 |
17 | A | C5 | 119.718 |
17 | A | C6 | 156.786 |
17 | A | N1 | 226.078 |
17 | A | N3 | 215.923 |
17 | A | N6 | 80.176 |
17 | A | N7 | 230.859 |
17 | A | N9 | 172.678 |
17 | A | P | -1.865 |
18 | G | C5 | 119.19 |
18 | G | N2 | 74.71 |
18 | G | N9 | 169.026 |
19 | G | H21 | 8.418 |
19 | G | H22 | 6.743 |
19 | G | C4 | 151.839 |
19 | G | C5 | 118.893 |
19 | G | N2 | 74.319 |
19 | G | N9 | 169.234 |
20 | U | C2 | 152.934 |
20 | U | C4 | 168.985 |
20 | U | N1 | 146.464 |
21 | U | C2 | 152.703 |
21 | U | C4 | 169.113 |
21 | U | N1 | 147.21 |
22 | C | N1 | 151.731 |
22 | C | N3 | 196.547 |
22 | C | N4 | 98.525 |
23 | U | C2 | 154.168 |
23 | U | C4 | 166.662 |
23 | U | N1 | 145.523 |
24 | U | C2 | 153.52 |
24 | U | C4 | 167.362 |
24 | U | N1 | 142.559 |
25 | G | C2 | 154.752 |
25 | G | C4 | 149.922 |
25 | G | C5 | 119.401 |
25 | G | C6 | 158.553 |
25 | G | N2 | 71.495 |
25 | G | N7 | 232.127 |
25 | G | N9 | 170.183 |
26 | G | H21 | 8.574 |
26 | G | H22 | 6.623 |
26 | G | C5 | 119.45 |
26 | G | N2 | 73.654 |
26 | G | N7 | 233.965 |
26 | G | N9 | 170.44 |
27 | C | N1 | 150.912 |
27 | C | N3 | 197.19 |
27 | C | N4 | 98.68 |
28 | U | C2 | 152.403 |
28 | U | C4 | 169.312 |
28 | U | N1 | 145.467 |
29 | G | C4 | 151.722 |
29 | G | C5 | 118.481 |
29 | G | N2 | 75.37 |
29 | G | N7 | 233.664 |
29 | G | N9 | 169.461 |
30 | C | N1 | 151.122 |
30 | C | N3 | 195.641 |
30 | C | N4 | 99.31 |
31 | U | C2 | 152.931 |
31 | U | C4 | 167.816 |
31 | U | N1 | 146.737 |
32 | U | HO2' | 6.574 |
32 | U | C2 | 155.037 |
32 | U | C4 | 168.833 |
32 | U | N1 | 143.704 |
32 | U | P | -2.072 |
33 | C | N1 | 150.503 |
33 | C | N3 | 202.71 |
33 | C | N4 | 93.548 |
34 | G | C2 | 155.493 |
34 | G | C5 | 118.667 |
34 | G | C6 | 161.448 |
34 | G | N2 | 74.269 |
34 | G | N7 | 231.367 |
34 | G | N9 | 171.571 |
35 | G | H21 | 8.757 |
35 | G | H22 | 6.441 |
35 | G | C2 | 156.89 |
35 | G | C4 | 152.138 |
35 | G | C5 | 119.046 |
35 | G | C6 | 162.274 |
35 | G | N2 | 75.511 |
35 | G | N7 | 232.304 |
35 | G | N9 | 170.277 |
36 | C | N1 | 151.056 |
36 | C | N3 | 196.615 |
36 | C | N4 | 97.389 |
37 | A | H61 | 6.304 |
37 | A | H62 | 6.304 |
37 | A | C4 | 148.229 |
37 | A | C5 | 120.711 |
37 | A | C6 | 156.96 |
37 | A | N1 | 219.972 |
37 | A | N3 | 214.036 |
37 | A | N6 | 81.786 |
37 | A | N7 | 229.924 |
37 | A | N9 | 170.264 |
38 | G | H21 | 7.165 |
38 | G | H22 | 5.703 |
38 | G | C4 | 151.229 |
38 | G | C5 | 118.583 |
38 | G | N2 | 72.976 |
38 | G | N9 | 169.215 |
39 | A | H61 | 6.32 |
39 | A | H62 | 6.32 |
39 | A | C4 | 148.092 |
39 | A | C5 | 119.346 |
39 | A | C6 | 157.337 |
39 | A | N1 | 222.195 |
39 | A | N3 | 212.282 |
39 | A | N6 | 83.186 |
39 | A | N9 | 170.929 |
40 | G | H21 | 6.204 |
40 | G | H22 | 5.925 |
40 | G | C5 | 117.909 |
40 | G | N2 | 77.406 |
40 | G | N7 | 235.705 |
40 | G | N9 | 170.941 |
41 | G | H21 | 8.605 |
41 | G | H22 | 6.412 |
41 | G | C5 | 117.317 |
41 | G | N2 | 83.378 |
41 | G | N7 | 237.186 |
41 | G | N9 | 161.426 |
42 | U | C2 | 153.289 |
42 | U | C4 | 168.878 |
42 | U | N1 | 142.296 |
43 | A | C4 | 150.404 |
43 | A | C5 | 121.13 |
43 | A | C6 | 157.63 |
43 | A | N1 | 223.707 |
43 | A | N3 | 217.538 |
43 | A | N6 | 78.475 |
43 | A | N7 | 234.084 |
43 | A | N9 | 169.166 |
44 | C | N1 | 151.445 |
44 | C | N3 | 196.782 |
44 | C | N4 | 97.127 |
45 | G | C5 | 118.842 |
45 | G | N2 | 74.701 |
45 | G | N7 | 233.998 |
45 | G | N9 | 168.063 |
46 | U | C2 | 152.711 |
46 | U | C4 | 168.921 |
46 | U | N1 | 146.749 |
47 | C | N1 | 151.672 |
47 | C | N3 | 198.095 |
47 | C | N4 | 98.219 |
48 | C | N1 | 149.954 |
48 | C | N3 | 197.952 |
48 | C | N4 | 98.773 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 418 | 390 | 93.3 |
13C chemical shifts | 320 | 303 | 94.7 |
15N chemical shifts | 26 | 24 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 288 | 262 | 91.0 |
13C chemical shifts | 240 | 223 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 130 | 128 | 98.5 |
13C chemical shifts | 80 | 80 | 100.0 |
15N chemical shifts | 26 | 24 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 36 | 36 | 100.0 |
13C chemical shifts | 36 | 36 | 100.0 |
Distance restraints
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC |||||||||||||||||||||||||||||||||||||||||||||||| GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC |||||||||||||| |||||||| |||||||||||||||||||||||| GGACGACUGAACCG.AAGGUUCU.GGCUGCUUCGGCAGAGGUACGUCC
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC |||||||||||||||||||||||||||||||||||||||||||||||| GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC
Dihedral angle restraints
--------10--------20--------30--------40-------- GGACGACUGAACCGAAAGGUUCUUGGCUGCUUCGGCAGAGGUACGUCC ||||||||||||||||||||||| ||||||||||||||||| |||||| GGACGACUGAACCGAAAGGUUCU.GGCUGCUUCGGCAGAGG.ACGUCC