BMRB: 16223

Aflatoxin Formamidopyrimidine alpha anomer in single strand DNA

Authors

Brown, K.L.

Assembly

5'-D(*DCP*DTP*(FAG)P*DA)-3'

Entity

1. 5'-D(*DCP*DTP*(FAG)P*DA)-3' (polymer, Thiol state: not present), 4 monomers, 1600.090 Da Detail

CTXA

Formula weight

1600.09 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 75.0 %, Completeness: 83.3 %, Completeness (bb): 95.2 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	83.3 % (25 of 30)	83.3 % (25 of 30)
Suger, PO4	95.2 % (20 of 21)	95.2 % (20 of 21)
Nucleobase	55.6 % (5 of 9)	55.6 % (5 of 9)
Aromatic	66.7 % (4 of 6)	66.7 % (4 of 6)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. DNA (5'-D(*DCP*DTP*(FAG)P*DA)-3')

CTXA

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 8.7

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*DCP*DTP*(FAG)P*DA)-3')	natural abundance		0.4 mM
2	D2O	natural abundance		100 %
3	Sodium Phosphate	natural abundance		20 mM
4	NaCl	natural abundance		0.1 M
5	NaN3	natural abundance		10 uM
6	Na2EDTA	natural abundance		50 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 8.7

#	Name	Isotope labeling	Type	Concentration
7	DNA (5'-D(*DCP*DTP*(FAG)P*DA)-3')	natural abundance		0.4 mM
8	H2O	natural abundance		90 %
9	D2O	natural abundance		10 %
10	Sodium Phosphate	natural abundance		20 mM
11	NaCl	natural abundance		0.1 M
12	NaN3	natural abundance		10 uM
13	Na2EDTA	natural abundance		50 uM

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Release date

2009-11-22

Citation

Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA
Brown, K.L., Voehler, M.W., Magee, S.M., Harris, C.M., Harris, T.M., Stone, M.P.
J. Am. Chem. Soc. (2009), 131, 16096-16107, PubMed 19831353 , DOI 10.1021/ja902052v , Abstract

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 3 experiments Detail

NMR combined restraints 2 contents Detail