NMR structure of E. coli ribosomela decoding site with apramycin
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | 31P | |
---|---|---|---|---|---|
All | 99.8 % (459 of 460) | 99.6 % (238 of 239) | 100.0 % (180 of 180) | 100.0 % (14 of 14) | 100.0 % (27 of 27) |
Suger, PO4 | 100.0 % (324 of 324) | 100.0 % (162 of 162) | 100.0 % (135 of 135) | 100.0 % (27 of 27) | |
Nucleobase | 99.3 % (135 of 136) | 98.7 % (76 of 77) | 100.0 % (45 of 45) | 100.0 % (14 of 14) | |
Aromatic | 99.2 % (117 of 118) | 98.3 % (58 of 59) | 100.0 % (45 of 45) | 100.0 % (14 of 14) |
1. RNA
GGCGUCACAC CUUCGGGUGA AGUCGCCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details unlabeled complex
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | RNA | natural abundance | 0.5 ~ 1.0 mM | |
6 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details unlabeled complex
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | RNA | natural abundance | 0.5 ~ 1.0 mM | |
6 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details unlabeled complex
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | RNA | natural abundance | 0.5 ~ 1.0 mM | |
6 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details unlabeled complex
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | RNA | natural abundance | 0.5 ~ 1.0 mM | |
6 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of RNA-apramycin
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA | [U-100% 13C; U-100% 15N] | 0.5 ~ 1.0 mM | |
2 | APRAMYCIN | natural abundance | 0.5 ~ 1.0 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19018_2m4q.nef |
Input source #2: Coordindates | 2m4q.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 |
---|---|---|---|---|
A | 1 | AM2 | APRAMYCIN | None |
Sequence alignments
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
1 | 1 | 27 | 0 | 0 | 100.0 |
Content subtype: combined_19018_2m4q.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
1 | G | H21 | 0.0 |
1 | G | H22 | 0.0 |
1 | G | C2 | 0.0 |
1 | G | C4 | 0.0 |
1 | G | C5 | 0.0 |
1 | G | C6 | 0.0 |
1 | G | N2 | 0.0 |
1 | G | N3 | 0.0 |
1 | G | N7 | 0.0 |
1 | G | N9 | 0.0 |
1 | G | P | 0.0 |
2 | G | H21 | 0.0 |
2 | G | H22 | 0.0 |
2 | G | C2 | 0.0 |
2 | G | C4 | 0.0 |
2 | G | C5 | 0.0 |
2 | G | C6 | 0.0 |
2 | G | N2 | 0.0 |
2 | G | N3 | 0.0 |
2 | G | N7 | 0.0 |
2 | G | N9 | 0.0 |
2 | G | P | 0.0 |
3 | C | C2 | 0.0 |
3 | C | C4 | 0.0 |
3 | C | N1 | 0.0 |
3 | C | N3 | 0.0 |
3 | C | N4 | 98.86 |
3 | C | P | 0.0 |
4 | G | H21 | 0.0 |
4 | G | H22 | 0.0 |
4 | G | C2 | 0.0 |
4 | G | C4 | 0.0 |
4 | G | C5 | 0.0 |
4 | G | C6 | 0.0 |
4 | G | N2 | 0.0 |
4 | G | N3 | 0.0 |
4 | G | N7 | 0.0 |
4 | G | N9 | 0.0 |
4 | G | P | 0.0 |
5 | U | C2 | 0.0 |
5 | U | C4 | 0.0 |
5 | U | N1 | 0.0 |
5 | U | P | 0.0 |
6 | C | C2 | 0.0 |
6 | C | C4 | 0.0 |
6 | C | N1 | 0.0 |
6 | C | N3 | 0.0 |
6 | C | N4 | 98.6 |
6 | C | P | 0.0 |
7 | A | H61 | 0.0 |
7 | A | H62 | 0.0 |
7 | A | C4 | 0.0 |
7 | A | C5 | 0.0 |
7 | A | C6 | 0.0 |
7 | A | N1 | 0.0 |
7 | A | N3 | 0.0 |
7 | A | N6 | 0.0 |
7 | A | N7 | 0.0 |
7 | A | N9 | 0.0 |
7 | A | P | 0.0 |
8 | C | C2 | 0.0 |
8 | C | C4 | 0.0 |
8 | C | N1 | 0.0 |
8 | C | N3 | 0.0 |
8 | C | N4 | 96.6 |
8 | C | P | 0.0 |
9 | A | H61 | 0.0 |
9 | A | H62 | 0.0 |
9 | A | C4 | 0.0 |
9 | A | C5 | 0.0 |
9 | A | C6 | 0.0 |
9 | A | N1 | 0.0 |
9 | A | N3 | 0.0 |
9 | A | N6 | 0.0 |
9 | A | N7 | 0.0 |
9 | A | N9 | 0.0 |
9 | A | P | 0.0 |
10 | C | C2 | 0.0 |
10 | C | C4 | 0.0 |
10 | C | N1 | 0.0 |
10 | C | N3 | 0.0 |
10 | C | N4 | 98.95 |
10 | C | P | 0.0 |
11 | C | C2 | 0.0 |
11 | C | C4 | 0.0 |
11 | C | N1 | 0.0 |
11 | C | N3 | 0.0 |
11 | C | N4 | 0.0 |
11 | C | P | 0.0 |
12 | U | C2 | 0.0 |
12 | U | C4 | 0.0 |
12 | U | N1 | 0.0 |
12 | U | P | 0.0 |
13 | U | C2 | 0.0 |
13 | U | C4 | 0.0 |
13 | U | N1 | 0.0 |
13 | U | P | 0.0 |
14 | C | C2 | 0.0 |
14 | C | C4 | 0.0 |
14 | C | N1 | 0.0 |
14 | C | N3 | 0.0 |
14 | C | N4 | 93.71 |
14 | C | P | 0.0 |
15 | G | H21 | 0.0 |
15 | G | H22 | 0.0 |
15 | G | C2 | 0.0 |
15 | G | C4 | 0.0 |
15 | G | C5 | 0.0 |
15 | G | C6 | 0.0 |
15 | G | N2 | 0.0 |
15 | G | N3 | 0.0 |
15 | G | N7 | 0.0 |
15 | G | N9 | 0.0 |
15 | G | P | 0.0 |
16 | G | H21 | 0.0 |
16 | G | H22 | 0.0 |
16 | G | C2 | 0.0 |
16 | G | C4 | 0.0 |
16 | G | C5 | 0.0 |
16 | G | C6 | 0.0 |
16 | G | N2 | 0.0 |
16 | G | N3 | 0.0 |
16 | G | N7 | 0.0 |
16 | G | N9 | 0.0 |
16 | G | P | 0.0 |
17 | G | H21 | 0.0 |
17 | G | H22 | 0.0 |
17 | G | C2 | 0.0 |
17 | G | C4 | 0.0 |
17 | G | C5 | 0.0 |
17 | G | C6 | 0.0 |
17 | G | N2 | 0.0 |
17 | G | N3 | 0.0 |
17 | G | N7 | 0.0 |
17 | G | N9 | 0.0 |
17 | G | P | 0.0 |
18 | U | C2 | 0.0 |
18 | U | C4 | 0.0 |
18 | U | N1 | 0.0 |
18 | U | P | 0.0 |
19 | G | H21 | 0.0 |
19 | G | H22 | 0.0 |
19 | G | C2 | 0.0 |
19 | G | C4 | 0.0 |
19 | G | C5 | 0.0 |
19 | G | C6 | 0.0 |
19 | G | N2 | 0.0 |
19 | G | N3 | 0.0 |
19 | G | N7 | 0.0 |
19 | G | N9 | 0.0 |
19 | G | P | 0.0 |
20 | A | H61 | 0.0 |
20 | A | H62 | 0.0 |
20 | A | C4 | 0.0 |
20 | A | C5 | 0.0 |
20 | A | C6 | 0.0 |
20 | A | N1 | 0.0 |
20 | A | N3 | 0.0 |
20 | A | N6 | 0.0 |
20 | A | N7 | 0.0 |
20 | A | N9 | 0.0 |
20 | A | P | 0.0 |
21 | A | H61 | 0.0 |
21 | A | H62 | 0.0 |
21 | A | C4 | 0.0 |
21 | A | C5 | 0.0 |
21 | A | C6 | 0.0 |
21 | A | N1 | 0.0 |
21 | A | N3 | 0.0 |
21 | A | N6 | 0.0 |
21 | A | N7 | 0.0 |
21 | A | N9 | 0.0 |
21 | A | P | 0.0 |
22 | G | C2 | 0.0 |
22 | G | C4 | 0.0 |
22 | G | C5 | 0.0 |
22 | G | C6 | 0.0 |
22 | G | N3 | 0.0 |
22 | G | N7 | 0.0 |
22 | G | N9 | 0.0 |
22 | G | P | 0.0 |
23 | U | C2 | 0.0 |
23 | U | C4 | 0.0 |
23 | U | N1 | 0.0 |
23 | U | P | 0.0 |
24 | C | C2 | 0.0 |
24 | C | C4 | 0.0 |
24 | C | N1 | 0.0 |
24 | C | N3 | 0.0 |
24 | C | N4 | 0.0 |
24 | C | P | 0.0 |
25 | G | H21 | 0.0 |
25 | G | H22 | 0.0 |
25 | G | C2 | 0.0 |
25 | G | C4 | 0.0 |
25 | G | C5 | 0.0 |
25 | G | C6 | 0.0 |
25 | G | N2 | 0.0 |
25 | G | N3 | 0.0 |
25 | G | N7 | 0.0 |
25 | G | N9 | 0.0 |
25 | G | P | 0.0 |
26 | C | C2 | 0.0 |
26 | C | C4 | 0.0 |
26 | C | N1 | 0.0 |
26 | C | N3 | 0.0 |
26 | C | N4 | 0.0 |
26 | C | P | 0.0 |
27 | C | C2 | 0.0 |
27 | C | C4 | 0.0 |
27 | C | N1 | 0.0 |
27 | C | N3 | 0.0 |
27 | C | N4 | 0.0 |
27 | C | P | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 239 | 238 | 99.6 |
13C chemical shifts | 180 | 180 | 100.0 |
15N chemical shifts | 14 | 14 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 162 | 162 | 100.0 |
13C chemical shifts | 135 | 135 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 76 | 98.7 |
13C chemical shifts | 45 | 45 | 100.0 |
15N chemical shifts | 14 | 14 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 17 | 100.0 |
13C chemical shifts | 17 | 17 | 100.0 |
Distance restraints
Dihedral angle restraints
--------10--------20------- GGCGUCACACCUUCGGGUGAAGUCGCC ||||||||||||||||||||||||||| GGCGUCACACCUUCGGGUGAAGUCGCC