BMRB: 19695

NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations

Authors

Rodriguez, F.A., Liu, Z., Lin, C.H., Ding, S., Cai, Y., Kolbanovskiy, A., Kolbanovskiy, M., Amin, S., Broyde, S., Geacintov, N.E.

Assembly

N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA

Entity

1. DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3') (polymer, Thiol state: not present), 11 monomers, 3317.110 Da Detail

CCATCGCTAC C

2. DNA (5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') (polymer, Thiol state: not present), 10 monomers, 3228.048 Da Detail

GGTAGGATGG

3. (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol (non-polymer), 354.398 Da

Total weight

6899.556 Da

Max. entity weight

3317.11 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 62.9 %, Completeness (bb): 65.3 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	62.9 % (129 of 205)	62.9 % (129 of 205)
Suger, PO4	65.3 % (96 of 147)	65.3 % (96 of 147)
Nucleobase	56.9 % (33 of 58)	56.9 % (33 of 58)
Aromatic	69.0 % (29 of 42)	69.0 % (29 of 42)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3')

CCATCGCTAC C

2. DNA (5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3')

GGTAGGATGG

Show sample condition

Sample

Solvent system 100% D2O, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	DB[a,l]P covalently bound to 11mer DNA duplex	natural abundance		1.5 mM
2	NaCl	natural abundance		100 mM
3	Na2HPO4	natural abundance		10 mM
4	DSS	natural abundance		25 mM
5	D2O	natural abundance		100 %

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Release date

2014-03-30

Citation

Nuclear magnetic resonance studies of an N2-guanine adduct derived from the tumorigen dibenzo[a,l]pyrene in DNA: impact of adduct stereochemistry, size, and local DNA sequence on solution conformations
Rodriguez, F.A., Liu, Z., Lin, C.H., Ding, S., Cai, Y., Kolbanovskiy, A., Kolbanovskiy, M., Amin, S., Broyde, S., Geacintov, N.E.
Biochemistry (2014), 53, 1827-1841, PubMed 24617538 , DOI 10.1021/bi4017044 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 4 experiments Detail