Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure
Polymer type: polydeoxyribonucleotide
Total | 1H | 31P | |
---|---|---|---|
All | 64.5 % (167 of 259) | 61.7 % (145 of 235) | 91.7 % (22 of 24) |
Suger, PO4 | 60.4 % (116 of 192) | 56.0 % (94 of 168) | 91.7 % (22 of 24) |
Nucleobase | 76.1 % (51 of 67) | 76.1 % (51 of 67) | |
Aromatic | 95.8 % (46 of 48) | 95.8 % (46 of 48) | |
Methyl | 100.0 % (5 of 5) | 100.0 % (5 of 5) |
1. entity 1
GCATCGATTG GC2. entity 2
GCCAATCGAT GCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.1), Details 3.5 mM DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3') | natural abundance | 3.25 (±0.25) mM | |
2 | DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3') | natural abundance | 3.25 (±0.25) mM | |
3 | sodium phosphate buffer | natural abundance | 15 mM | |
4 | sodium chloride | natural abundance | 25 mM | |
5 | EDTA | natural abundance | 0.1 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.1), Details 3.5 mM DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3') | natural abundance | 3.25 (±0.25) mM | |
7 | DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3') | natural abundance | 3.25 (±0.25) mM | |
8 | sodium phosphate buffer | natural abundance | 15 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | EDTA | natural abundance | 0.1 mM |