BMRB: 34596

Solution structure of DNA duplex containing a 7,8-dihydro-8-oxo-1,N6-ethenoadenine base modification that induces exclusively A->T transversions in Escherichia coli

Authors

Aralov, A.V., Gubina, N., Cabrero, C., Tsvetkov, V.B., Turaev, A.V., Fedeles, B.I., Croy, R.G., Isaakova, E.A., Melnik, D., Dukova, S., Khrulev, A.A., Varizhuk, A.M., Gonzalez, C., Zatsepin, T.S., Essigmann, J.M.

Assembly

DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3')

Entity

1. DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), entity 1 (polymer, Thiol state: not present), 9 monomers, 2471.574 Da Detail

GTACXCATG

2. DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), entity 2 (polymer, Thiol state: not present), 9 monomers, 2802.796 Da Detail

CATGAGTAC

Total weight

5274.37 Da

Max. entity weight

2802.796 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 77.0 %, Completeness (bb): 69.7 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	77.0 % (127 of 165)	77.0 % (127 of 165)
Suger, PO4	69.7 % (83 of 119)	69.7 % (83 of 119)
Nucleobase	95.7 % (44 of 46)	95.7 % (44 of 46)
Aromatic	94.1 % (32 of 34)	94.1 % (32 of 34)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. entity 1

GTACXCATG

2. entity 2

CATGAGTAC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 276 K, pH 7, Details 0.5 M DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3'), 0.5 M DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), 25 mM sodium phosphate, 100 mM sodium chloride, 0.5 % v/v DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3')	natural abundance		0.5 M
2	DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3')	natural abundance		0.5 M
3	sodium phosphate	natural abundance		25 mM
4	sodium chloride	natural abundance		100 mM
5	DSS	natural abundance		0.5 % v/v

Hide sample codition

Release date

2021-03-30

Citation

7,8-Dihydro-8-oxo-1,N6-ethenoadenine: an exclusively Hoogsteen-paired thymine mimic in DNA that induces A→T transversions in Escherichia coli
Aralov, A.V., Gubina, N., Cabrero, C., Tsvetkov, V.B., Turaev, A.V., Fedeles, B.I., Croy, R.G., Isaakova, E.A., Melnik, D., Dukova, S., Ryazantsev, D.Y., Khrulev, A.A., Varizhuk, A.M., Gonzalez, C., Zatsepin, T.S., Essigmann, J.M.
Nucleic Acids Res. (2022), 50, 3056-3069, PubMed 35234900 , DOI 10.1093/nar/gkac148 , Abstract

Experiments performed 3 experiments Detail

Chemical shift validation 4 contents Detail