BMRB: 30052

NMR solution structure of [Rp, Rp]-PT dsDNA

Authors

Lan, W., Hu, Z., Cao, C.

Assembly

DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')

Entity

1. DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3') (polymer, Thiol state: not present), 10 monomers, 3110.019 Da Detail

CGXCCGCCGA

2. DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') (polymer, Thiol state: not present), 10 monomers, 3141.029 Da Detail

TCGGCGXCCG

Total weight

6251.048 Da

Max. entity weight

3141.029 Da

Source organism

Streptomyces lividans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 45.0 %, Completeness: 38.2 %, Completeness (bb): 34.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H	31P
All	38.2 % (76 of 199)	37.6 % (68 of 181)	44.4 % (8 of 18)
Suger, PO4	34.0 % (49 of 144)	32.5 % (41 of 126)	44.4 % (8 of 18)
Nucleobase	49.1 % (27 of 55)	49.1 % (27 of 55)
Aromatic	50.0 % (18 of 36)	50.0 % (18 of 36)
Methyl	0.0 % (0 of 1)	0.0 % (0 of 1)

1. DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3')

CGXCCGCCGA

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

TCGGCGXCCG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0, Details 1.0 mM [Rp, Rp]-PT dsDNA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	[Rp, Rp]-PT dsDNA	natural abundance		1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Chem. Shift Complete2

Sequence coverage: 45.0 %, Completeness: 36.7 %, Completeness (bb): 33.3 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H	31P
All	36.7 % (146 of 398)	35.9 % (130 of 362)	44.4 % (16 of 36)
Suger, PO4	33.3 % (96 of 288)	31.7 % (80 of 252)	44.4 % (16 of 36)
Nucleobase	45.5 % (50 of 110)	45.5 % (50 of 110)
Aromatic	47.2 % (34 of 72)	47.2 % (34 of 72)
Methyl	0.0 % (0 of 2)	0.0 % (0 of 2)

1. DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3')

CGXCCGCCGA

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

TCGGCGXCCG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0, Details 1.0 mM [Rp, Rp]-PT dsDNA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	[Rp, Rp]-PT dsDNA	natural abundance		1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Release date

2016-11-13

Citation

Structural investigation into physiological DNA phosphorothioate modification
Lan, W., Hu, Z., Cao, C.
Sci. Rep. (2016), 6, 25737-25737, PubMed 27169778 , DOI 10.1038/srep25737 , Abstract

Entries sharing articles BMRB: 2 entries Detail

Experiments performed 5 experiments Detail