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BMRB: 15860

2K67

NMR solution structure of modified DNA containing imidazole nucleosides at acidic, neutral and basic pH

Authors

Johannsen, S., Boehme, D., Duepre, N., Mueller, J., Sigel, R.K. O.

Assembly

5'-D(*DTP*DTP*DAP*DAP*DTP*DTP*DTP*(D33)*(D33)*(D33)*DAP*DAP*DAP*DTP*DTP*DAP*DA)-3'

Entity

1. 5'-D(*DTP*DTP*DAP*DAP*DTP*DTP*DTP*(D33)*(D33)*(D33)*DAP*DAP*DAP*DTP*DTP*DAP*DA)-3' (polymer, Thiol state: not present), 17 monomers, 5078.282 Da Detail

TTAATTTXXX AAATTAA

Formula weight

5078.282 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 82.4 %, Completeness: 94.7 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	94.7 % (126 of 133)	94.7 % (126 of 133)
Suger, PO4	100.0 % (98 of 98)	100.0 % (98 of 98)
Nucleobase	80.0 % (28 of 35)	80.0 % (28 of 35)
Aromatic	75.0 % (21 of 28)	75.0 % (21 of 28)
Methyl	100.0 % (7 of 7)	100.0 % (7 of 7)

1. DNA 17-mer

TTAATTTXXX AAATTAA

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	DNA 17-mer	natural abundance		0.2-0.8 mM
2	sodium perchlorate	natural abundance		120 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
3	DNA 17-mer	natural abundance		0.2-0.8 mM
4	sodium perchlorate	natural abundance		120 mM

Chem. Shift Complete2

Sequence coverage: 82.4 %, Completeness: 94.7 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	94.7 % (252 of 266)	94.7 % (252 of 266)
Suger, PO4	100.0 % (196 of 196)	100.0 % (196 of 196)
Nucleobase	80.0 % (56 of 70)	80.0 % (56 of 70)
Aromatic	75.0 % (42 of 56)	75.0 % (42 of 56)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. DNA 17-mer

TTAATTTXXX AAATTAA

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	DNA 17-mer	natural abundance		0.2-0.8 mM
2	sodium perchlorate	natural abundance		120 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
3	DNA 17-mer	natural abundance		0.2-0.8 mM
4	sodium perchlorate	natural abundance		120 mM

Chem. Shift Complete3

Sequence coverage: 82.4 %, Completeness: 94.7 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	94.7 % (378 of 399)	94.7 % (378 of 399)
Suger, PO4	100.0 % (294 of 294)	100.0 % (294 of 294)
Nucleobase	80.0 % (84 of 105)	80.0 % (84 of 105)
Aromatic	75.0 % (63 of 84)	75.0 % (63 of 84)
Methyl	100.0 % (21 of 21)	100.0 % (21 of 21)

1. DNA 17-mer

TTAATTTXXX AAATTAA

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	DNA 17-mer	natural abundance		0.2-0.8 mM
2	sodium perchlorate	natural abundance		120 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
3	DNA 17-mer	natural abundance		0.2-0.8 mM
4	sodium perchlorate	natural abundance		120 mM

Release date

2009-10-11

Citation

Solution structure at different pHs of a DNA hairpin containing artificial nucleotides
Johannsen, S., Boehme, D., Duepre, N., Mueller, J., Sigel, R.K. O.
Not known