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Structural impact of single ribonucleotides in DNA
Authors
Evich, M., Spring-Connell, A.M., Storici, F., Germann, M.W.
Assembly
DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3')
Entity
1. DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), entity 1 (polymer, Thiol state: not present), 9 monomers, 2834.795 Da Detail

ATCCGGTAG


2. DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), entity 2 (polymer, Thiol state: not present), 9 monomers, 2778.771 Da Detail

CTACCGGAT


Total weight
5613.566 Da
Max. entity weight
2834.795 Da
Source organism
synthetic construct
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 50.0 %, Completeness: 70.4 %, Completeness (bb): 73.6 % Detail

Polymer type: polydeoxyribonucleotide/polyribonucleotide hybrid

Total1H31P
All70.4 % (69 of 98)68.5 % (61 of 89)88.9 % (8 of 9)
Suger, PO473.6 % (53 of 72)71.4 % (45 of 63)88.9 % (8 of 9)
Nucleobase61.5 % (16 of 26)61.5 % (16 of 26)
Aromatic77.8 % (14 of 18)77.8 % (14 of 18)
Methyl100.0 % (2 of 2)100.0 % (2 of 2)

2. entity 2

CTACCGGAT

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 294 K, pH 6.6, Details 1 mM DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3'), 1 mM DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), 100 % 100% deuterium D2O, 100 mM sodium chloride, 10 mM sodium phosphate, 100% D2O


#NameIsotope labelingTypeConcentration
1D2O100% deuterium100 %
2DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3')natural abundance1 mM
3DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3')natural abundance1 mM
4sodium chloridenatural abundance100 mM
5sodium phosphatenatural abundance10 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 294 K, pH 6.6, Details 1 mM DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3'), 1 mM DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), 10 % 100% deuterium D2O, 100 mM sodium chloride, 10 mM sodium phosphate, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
6D2O100% deuterium10 %
7DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3')natural abundance1 mM
8DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3')natural abundance1 mM
9sodium chloridenatural abundance100 mM
10sodium phosphatenatural abundance10 mM

Release date
2016-08-21
Citation
Structural impact of single ribonucleotides in DNA
Evich, M., Spring-Connell, A.M., Storici, F., Germann, M.W.
Chembiochem. (2016), 17, 1968-1977, PubMed 27504600 , DOI 10.1002/cbic.201600385 ,
Experiments performed 10 experiments Detail
nullKeywords DNA, RNA, Ribonucleotides