SOLUTION STRUCTURE OF DNA CONTAINING METALLO-BASE-PAIR
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:DC8:N3 | 3:AG1:AG |
2 | metal coordination | sing | 2:DC8:N3 | 3:AG1:AG |
Polymer type: polydeoxyribonucleotide
Total | 1H | |
---|---|---|
All | 68.1 % (196 of 288) | 68.1 % (196 of 288) |
Suger, PO4 | 57.1 % (120 of 210) | 57.1 % (120 of 210) |
Nucleobase | 97.4 % (76 of 78) | 97.4 % (76 of 78) |
Aromatic | 96.7 % (58 of 60) | 96.7 % (58 of 60) |
Methyl | 100.0 % (14 of 14) | 100.0 % (14 of 14) |
1. DNA (5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3')
TAATATACTT AATTA2. DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3')
TAATTAACTA TATTASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') | natural abundance | DNA | 2 mM |
2 | DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') | natural abundance | DNA | 2 mM |
3 | AgNO3 | natural abundance | 2.1 mM | |
4 | NaNO3 | natural abundance | salt | 100 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA (5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') | natural abundance | DNA | 2 mM |
8 | DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') | natural abundance | DNA | 2 mM |
9 | AgNO3 | natural abundance | 2.1 mM | |
10 | NaNO3 | natural abundance | salt | 100 mM |
11 | D2O | [U-2H] | solvent | 100 % |