Solution NMR structure of a preQ1 Class II riboswitch from Streptococcus pneumoniae
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 54.0 % (509 of 943) | 64.9 % (335 of 516) | 38.5 % (154 of 400) | 74.1 % (20 of 27) |
Suger, PO4 | 39.4 % (256 of 649) | 56.2 % (199 of 354) | 19.3 % (57 of 295) | |
Nucleobase | 86.1 % (253 of 294) | 84.0 % (136 of 162) | 92.4 % (97 of 105) | 74.1 % (20 of 27) |
Aromatic | 92.0 % (243 of 264) | 95.5 % (126 of 132) | 92.4 % (97 of 105) | 74.1 % (20 of 27) |
1. RNA (59-MER)
GCUUGGUGCU UAGCUUCUUU CACCAAGCAU AUUACACGCG GAUAACCGCC AAAGGAGAASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_H2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA (59-MER) | natural abundance | 1.0 ~ 1.2 mM | |
2 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
3 | potassium chloride | natural abundance | 60 mM | |
4 | calcium chloride | natural abundance | 3 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | [U-100% 2H] | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RNA (59-MER) | natural abundance | 1.0 ~ 1.2 mM | |
8 | potassium chloride | natural abundance | 60 mM | |
9 | calcium chloride | natural abundance | 3 mM | |
10 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
11 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_partially Deuterated
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | RNA (59-MER) | [U-50% 2H | 0.8 ~ 1.0 mM | |
13 | potassium chloride | natural abundance | 60 mM | |
14 | calcium Chloride | natural abundance | 3 mM | |
15 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
16 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_D2O_A
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | RNA (59-MER) | [U-13C; U-15N]-Ade | 1.0 ~ 1.2 mM | |
18 | potassium chloride | natural abundance | 60 mM | |
19 | calcium chloride | natural abundance | 3 mM | |
20 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
21 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_D2O_G
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | RNA (59-MER) | [U-13C; U-15N]-Gua | 1~1.2 mM | |
23 | potassium chloride | natural abundance | 60 mM | |
24 | calcium chloride | natural abundance | 3 mM | |
25 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
26 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_D2O_C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | RNA (59-MER) | [U-13C; U-15N]-Cyt | 1~1.2 mM | |
28 | potassium chloride | natural abundance | 60 mM | |
29 | calcium chloride | natural abundance | 3 mM | |
30 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
31 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_D2O_U
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
32 | RNA (59-MER) | [U-13C; U-15N]-Ura | 1~1.2 mM | |
33 | potassium chloride | natural abundance | 60 mM | |
34 | calcium chloride | natural abundance | 3 mM | |
35 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
36 | D2O | [U-100% 2H] | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.15 (±0.15), Details classII_H2O_full
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
37 | RNA (59-MER) | [U-100% 13C; U-100% 15N] | 1~1.2 mM | |
38 | potassium chloride | natural abundance | 60 mM | |
39 | calcium chloride | natural abundance | 3 mM | |
40 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
41 | H2O | natural abundance | 90 % | |
42 | D2O | [U-100% 2H] | 10 % |
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 56.4 % (1064 of 1886) | 61.1 % (631 of 1032) | 51.6 % (413 of 800) | 37.0 % (20 of 54) |
Suger, PO4 | 61.2 % (795 of 1298) | 68.5 % (485 of 708) | 52.5 % (310 of 590) | |
Nucleobase | 45.7 % (269 of 588) | 45.1 % (146 of 324) | 49.0 % (103 of 210) | 37.0 % (20 of 54) |
Aromatic | 48.3 % (255 of 528) | 50.0 % (132 of 264) | 49.0 % (103 of 210) | 37.0 % (20 of 54) |
1. RNA (59-MER)
GCUUGGUGCU UAGCUUCUUU CACCAAGCAU AUUACACGCG GAUAACCGCC AAAGGAGAASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_H2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA (59-MER) | natural abundance | 1.0 ~ 1.2 mM | |
2 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
3 | potassium chloride | natural abundance | 60 mM | |
4 | calcium chloride | natural abundance | 3 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | [U-100% 2H] | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RNA (59-MER) | natural abundance | 1.0 ~ 1.2 mM | |
8 | potassium chloride | natural abundance | 60 mM | |
9 | calcium chloride | natural abundance | 3 mM | |
10 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
11 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_partially Deuterated
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | RNA (59-MER) | [U-50% 2H | 0.8 ~ 1.0 mM | |
13 | potassium chloride | natural abundance | 60 mM | |
14 | calcium Chloride | natural abundance | 3 mM | |
15 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
16 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_D2O_A
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | RNA (59-MER) | [U-13C; U-15N]-Ade | 1.0 ~ 1.2 mM | |
18 | potassium chloride | natural abundance | 60 mM | |
19 | calcium chloride | natural abundance | 3 mM | |
20 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
21 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_D2O_G
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | RNA (59-MER) | [U-13C; U-15N]-Gua | 1~1.2 mM | |
23 | potassium chloride | natural abundance | 60 mM | |
24 | calcium chloride | natural abundance | 3 mM | |
25 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
26 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_D2O_C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | RNA (59-MER) | [U-13C; U-15N]-Cyt | 1~1.2 mM | |
28 | potassium chloride | natural abundance | 60 mM | |
29 | calcium chloride | natural abundance | 3 mM | |
30 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
31 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_D2O_U
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
32 | RNA (59-MER) | [U-13C; U-15N]-Ura | 1~1.2 mM | |
33 | potassium chloride | natural abundance | 60 mM | |
34 | calcium chloride | natural abundance | 3 mM | |
35 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
36 | D2O | [U-100% 2H] | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.15 (±0.15), Details classII_H2O_full
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
37 | RNA (59-MER) | [U-100% 13C; U-100% 15N] | 1~1.2 mM | |
38 | potassium chloride | natural abundance | 60 mM | |
39 | calcium chloride | natural abundance | 3 mM | |
40 | 7-DEAZA-7-AMINOMETHYL-GUANINE | natural abundance | 2 mM | |
41 | H2O | natural abundance | 90 % | |
42 | D2O | [U-100% 2H] | 10 % |