BMRB: 19862

E isomer of AFB1 FAPY modified AGC duplex

Authors

Li, L., Stone, M.

Assembly

AGC FAPY modified duplex Major isomer

Entity

1. DNA (5'-D(*CP*TP*AP*AP*(FAG)P*CP*TP*TP*CP*A)-3') (polymer, Thiol state: not present), 10 monomers, 3413.252 Da Detail

CTAAXCTTCA

2. DNA (5'-D(*TP*GP*AP*AP*GP*CP*TP*TP*AP*G)-3') (polymer, Thiol state: not present), 10 monomers, 3147.012 Da Detail

TGAAGCTTAG

Total weight

6560.2637 Da

Max. entity weight

3413.252 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 57.3 %, Completeness (bb): 53.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polydeoxyribonucleotide

	Total	1H
All	57.3 % (106 of 185)	57.3 % (106 of 185)
Suger, PO4	53.4 % (71 of 133)	53.4 % (71 of 133)
Nucleobase	67.3 % (35 of 52)	67.3 % (35 of 52)
Aromatic	76.3 % (29 of 38)	76.3 % (29 of 38)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

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

CTAAXCTTCA

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

TGAAGCTTAG

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 7

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

Hide sample codition

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

Entries sharing articles BMRB: 3 entries Detail

Experiments performed 2 experiments Detail