BMRB: 19696

Nuclear magnetic resonance 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

Rodr guez, 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*CP*GP*AP*TP*GP*G)-3') (polymer, Thiol state: not present), 11 monomers, 3517.230 Da Detail

GGTAGCGATG G

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

7188.738 Da

Max. entity weight

3517.23 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.5 %, Completeness: 61.1 %, Completeness (bb): 63.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	61.1 % (132 of 216)	61.1 % (132 of 216)
Suger, PO4	63.0 % (97 of 154)	63.0 % (97 of 154)
Nucleobase	56.5 % (35 of 62)	56.5 % (35 of 62)
Aromatic	70.5 % (31 of 44)	70.5 % (31 of 44)
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*CP*GP*AP*TP*GP*G)-3')

GGTAGCGATG G

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	D20	natural abundance		100 %

Hide sample codition

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 3 experiments Detail