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NMR structure of duplex DNA containing the -OH-PdG dA base pair: A mutagenic intermediate of acrolein
Authors
Zaliznyak, T., de los Santos, C., Lukin, M., El-khateeb, M., Bonala, R., Johnson, F.
Assembly
11 mer oligonucleotide-B
Entity
1. 11 mer oligonucleotide-B (polymer, Thiol state: not present), 11 monomers, 3397.158 Da Detail

CGTACGCATG C


2. 11 mer oligonucleotide-D (polymer, Thiol state: not present), 11 monomers, 3461.207 Da Detail

GCATGAGTAC G


Total weight
6858.365 Da
Max. entity weight
3461.207 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 66.4 %, Completeness (bb): 68.2 % Detail

Polymer type: polydeoxyribonucleotide

Total1H
All66.4 % (142 of 214)66.4 % (142 of 214)
Suger, PO468.2 % (105 of 154)68.2 % (105 of 154)
Nucleobase61.7 % (37 of 60)61.7 % (37 of 60)
Aromatic75.0 % (33 of 44)75.0 % (33 of 44)
Methyl100.0 % (4 of 4)100.0 % (4 of 4)

1. 11 mer oligonucleotide-B

CGTACGCATG C

2. 11 mer oligonucleotide-D

GCATGAGTAC G

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.6


#NameIsotope labelingTypeConcentration
111_mer_oligonucleotide-Bnatural abundance0.5 mM
2D2Onatural abundance100 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.6


#NameIsotope labelingTypeConcentration
311_mer_oligonucleotide-Bnatural abundance0.5 mM
4D2Onatural abundance10 %
5H2Onatural abundance90 %

Release date
2012-06-10
Citation
NMR structure of duplex DNA containing the alpha-OH-PdG.dA base pair: a mutagenic intermediate of acrolein
Zaliznyak, T., de los Santos, C., Lukin, M., El-khateeb, M., Bonala, R., Johnson, F.
Biopolymers (2010), 93, 391-401, PubMed 20049919 , DOI 10.1002/bip.21366 ,
Related entities 2. 11 mer oligonucleotide-D, : 2 entities Detail
Experiments performed 6 experiments Detail
NMR combined restraints 3 contents Detail
Keywords acrolein adducts, damaged DNA structure, DNA lesions, NMR