BMRB: 5739

Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the 8, 9-Dihydro-8-(N7-guanyl)-9-Hydroxy-Aflatoxin B1 Adduct : Structural study based on NMR

Authors

Stone, M.P., Giri, I.

Assembly

5'-D(*AP*CP*AP*TP*CP*XP*AP*TP*CP*T)-3'

Entity

1. 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3' (polymer, Thiol state: not present), 10 monomers, 3066.964 Da Detail

ACATCGATCT

2. 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3' (polymer, Thiol state: not present), 10 monomers, 3131.013 Da Detail

AGATCAATGT

3. AFN (non-polymer), 330.289 Da

Total weight

6528.266 Da

Max. entity weight

3131.013 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 50.0 %, Completeness: 47.4 %, Completeness (bb): 47.1 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	47.4 % (92 of 194)	47.4 % (92 of 194)
Suger, PO4	47.1 % (66 of 140)	47.1 % (66 of 140)
Nucleobase	48.1 % (26 of 54)	48.1 % (26 of 54)
Aromatic	45.0 % (18 of 40)	45.0 % (18 of 40)
Methyl	50.0 % (3 of 6)	50.0 % (3 of 6)

1. 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'

ACATCGATCT

2. 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'

AGATCAATGT

Show sample condition

Sample

Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'
2	5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'
3	sodium phosphate			0.01 M
4	NaCl			0.1 M
5	Na2EDTA			0.05 mM
6	D2O			99.96 %

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Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 46.1 %, Completeness (bb): 47.1 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	46.1 % (179 of 388)	46.1 % (179 of 388)
Suger, PO4	47.1 % (132 of 280)	47.1 % (132 of 280)
Nucleobase	43.5 % (47 of 108)	43.5 % (47 of 108)
Aromatic	45.0 % (36 of 80)	45.0 % (36 of 80)
Methyl	50.0 % (6 of 12)	50.0 % (6 of 12)

1. 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'

ACATCGATCT

2. 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'

AGATCAATGT

Show sample condition

Sample

Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'
2	5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'
3	sodium phosphate			0.01 M
4	NaCl			0.1 M
5	Na2EDTA			0.05 mM
6	D2O			99.96 %

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 0.0 %, Completeness: 30.8 %, Completeness (bb): 31.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
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Polymer type: polydeoxyribonucleotide

	Total	1H
All	30.8 % (179 of 582)	30.8 % (179 of 582)
Suger, PO4	31.4 % (132 of 420)	31.4 % (132 of 420)
Nucleobase	29.0 % (47 of 162)	29.0 % (47 of 162)
Aromatic	30.0 % (36 of 120)	30.0 % (36 of 120)
Methyl	33.3 % (6 of 18)	33.3 % (6 of 18)

1. 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'

ACATCGATCT

2. 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'

AGATCAATGT

Show sample condition

Sample

Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'
2	5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'
3	sodium phosphate			0.01 M
4	NaCl			0.1 M
5	Na2EDTA			0.05 mM
6	D2O			99.96 %

Hide sample codition

Release date

2003-08-07

Citation

Wobble dC.dA pairing 5' to the cationic guanine N7 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 adduct: implications for nontargeted AFB1 mutagenesis
Giri, I., Stone, M.P.
Biochemistry (2003), 42, 7023-7034, PubMed 12795597 , DOI 10.1021/bi020688n , Abstract

Experiments performed 3 experiments Detail