BMRB: 19853

AFB1 FAPY modified AGA duplex

Authors

Li, L., Stone, M.

Assembly

AGA modified

Entity

1. DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3') (polymer, Thiol state: not present), 10 monomers, 3437.277 Da Detail

CTAAXATTCA

2. DNA (5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3') (polymer, Thiol state: not present), 10 monomers, 3121.999 Da Detail

TGAATCTTAG

Total weight

6559.2764 Da

Max. entity weight

3437.277 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 70.1 %, Completeness (bb): 74.4 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	70.1 % (129 of 184)	70.1 % (129 of 184)
Suger, PO4	74.4 % (99 of 133)	74.4 % (99 of 133)
Nucleobase	58.8 % (30 of 51)	58.8 % (30 of 51)
Aromatic	60.5 % (23 of 38)	60.5 % (23 of 38)
Methyl	100.0 % (7 of 7)	100.0 % (7 of 7)

1. DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3')

CTAAXATTCA

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

TGAATCTTAG

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 283 (±0.1) K, pH 7 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3')	natural abundance		0.5 (±0.2) mM
2	DNA (5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3')	natural abundance		0.5 (±0.2) mM
3	Sodium Chloride	natural abundance		100 mM
4	Sodium Phosphate	natural abundance		10 mM
5	EDTA	natural abundance		50 uM

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Release date

2014-09-10

Citation

DNA Sequence Modulates Geometrical Isomerism of the trans-8,9-Dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)-9-hydroxy Aflatoxin B₁ Adduct
Li, L., Brown, K.L., Ma, R., Stone, M.P.
Chem. Res. Toxicol. (2015), 28, 225-237, PubMed 25587868 , DOI 10.1021/tx5003832 , Abstract

Experiments performed 2 experiments Detail