The Solution Structure of a cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir404/03
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.8 % (286 of 305) | 96.4 % (161 of 167) | 98.4 % (125 of 127) | 0.0 % (0 of 11) |
Suger, PO4 | 98.1 % (205 of 209) | 98.2 % (112 of 114) | 97.9 % (93 of 95) | |
Nucleobase | 84.4 % (81 of 96) | 92.5 % (49 of 53) | 100.0 % (32 of 32) | 0.0 % (0 of 11) |
Aromatic | 84.9 % (73 of 86) | 95.3 % (41 of 43) | 100.0 % (32 of 32) | 0.0 % (0 of 11) |
1. BEVSLD5
GGCGUUCGCU UAGAACGUCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | BEVSLD5 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | potassium chloride | natural abundance | 40 mM | |
10 | EDTA | natural abundance | 0.2 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BEVSLD5 | natural abundance | 1.1 mM | |
2 | potassium phosphate | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 40 mM | |
4 | EDTA | natural abundance | 0.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19545_2mfd.nef |
Input source #2: Coordindates | 2mfd.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
NoneSequence alignments
----60--------70--- GGCGUUCGCUUAGAACGUC ||||||||||||||||||| GGCGUUCGCUUAGAACGUC --------10---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 19 | 0 | 0 | 100.0 |
Content subtype: combined_19545_2mfd.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
55 | G | HO2' | 6.856 |
55 | G | N9 | 169.205 |
56 | G | H21 | 6.218 |
56 | G | H22 | 6.218 |
56 | G | HO2' | 7.097 |
56 | G | N9 | 170.268 |
57 | C | HO2' | 6.45 |
57 | C | N1 | 150.606 |
58 | G | H21 | 5.996 |
58 | G | H22 | 5.996 |
58 | G | HO2' | 6.841 |
58 | G | N9 | 168.742 |
59 | U | HO2' | 6.915 |
60 | U | HO2' | 6.69 |
60 | U | C2 | 152.805 |
60 | U | N1 | 147.02 |
61 | C | HO2' | 6.544 |
61 | C | N1 | 150.679 |
62 | G | H21 | 5.874 |
62 | G | H22 | 5.874 |
62 | G | HO2' | 6.975 |
62 | G | C4 | 158.62 |
63 | C | N1 | 152.436 |
64 | U | C2 | 154.42 |
64 | U | N1 | 143.419 |
65 | U | C2 | 154.37 |
65 | U | N1 | 143.858 |
66 | A | HO2' | 6.349 |
66 | A | C4 | 151.893 |
66 | A | N9 | 168.729 |
67 | G | H22 | 7.909 |
67 | G | H21 | 6.149 |
67 | G | HO2' | 6.573 |
67 | G | N9 | 169.943 |
68 | A | H61 | 6.557 |
68 | A | H62 | 7.808 |
68 | A | HO2' | 6.661 |
68 | A | N9 | 170.465 |
69 | A | H61 | 6.606 |
69 | A | H62 | 8.1 |
69 | A | HO2' | 6.732 |
69 | A | N9 | 171.056 |
70 | C | HO2' | 6.449 |
70 | C | N1 | 149.918 |
71 | G | H21 | 6.037 |
71 | G | H22 | 6.037 |
71 | G | HO2' | 6.897 |
71 | G | N9 | 169.352 |
72 | U | HO2' | 7.347 |
72 | U | C2 | 154.8 |
72 | U | N1 | 145.541 |
73 | C | C2 | 159.565 |
73 | C | N1 | 150.899 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 167 | 161 | 96.4 |
13C chemical shifts | 127 | 125 | 98.4 |
15N chemical shifts | 11 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 114 | 112 | 98.2 |
13C chemical shifts | 95 | 93 | 97.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 49 | 92.5 |
13C chemical shifts | 32 | 32 | 100.0 |
15N chemical shifts | 11 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 12 | 12 | 100.0 |
13C chemical shifts | 12 | 12 | 100.0 |
Distance restraints
----60--------70--- GGCGUUCGCUUAGAACGUC ||||||| ||||||| GGCGUUC.....GAACGUC
Dihedral angle restraints
----60--------70--- GGCGUUCGCUUAGAACGUC ||||||||||||||||||| GGCGUUCGCUUAGAACGUC