BMRB: 30823

1,N6-ethenoadnine (E) in dsDNA sequence (5'-CGCGEATTCGCG-3')

Authors

Meints, G.A., Ljunggren, K.D.

Assembly

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

Entity

1. DNA (5'-D(*(DCZ)P*GP*CP*GP*(EDA)P*AP*TP*TP*CP*GP*CP*G)-3') (polymer, Thiol state: not present), 12 monomers, 3670.405 × 2 Da Detail

XGCGXATTCG CG

Total weight

7340.81 Da

Max. entity weight

3670.405 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.3 %, Completeness: 66.3 %, Completeness (bb): 71.4 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	66.3 % (65 of 98)	66.3 % (65 of 98)
Suger, PO4	71.4 % (50 of 70)	71.4 % (50 of 70)
Nucleobase	53.6 % (15 of 28)	53.6 % (15 of 28)
Aromatic	65.0 % (13 of 20)	65.0 % (13 of 20)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. entity 1

XGCGXATTCG CG

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 283 (±0.2) K, pH 7.4, Details 1.0 mM DNA, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA	natural abundance		1.0 (±0.2) mM

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Release date

2021-01-03

Citation

Single-Base Lesions and Mismatches Alter the Backbone Conformational Dynamics in DNA
Westwood, M.N., Ljunggren, K.D., Boyd, B., Becker, J., Dwyer, T.J., Meints, G.A.
Biochemistry (2021), 60, 873-885, PubMed 33689312 , DOI 10.1021/acs.biochem.0c00784 , Abstract

Entries sharing articles BMRB: 8 entries Detail

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail