BMRB: 17859

Solution Structure of a DNA duplex Containing an Unnatural, Hydrophobic Base Pair

Authors

Malyshev, D.A., Pfaff, D.A., Ippoliti, S.L., Hwang, G.T., Dwyer, T.J., Romesberg, F.E.

Assembly

DNA duplex Containing an Unnatural, Hydrophobic Base Pair

Entity

1. DNA1 (polymer, Thiol state: not present), 12 monomers, 3682.434 Da Detail

CGTTTCXTTC TC

2. DNA2 (polymer, Thiol state: not present), 12 monomers, 3803.505 Da Detail

GAGAAXGAAA CG

Total weight

7485.939 Da

Max. entity weight

3803.505 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 55.1 %, Completeness (bb): 55.2 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	55.1 % (118 of 214)	55.1 % (118 of 214)
Suger, PO4	55.2 % (85 of 154)	55.2 % (85 of 154)
Nucleobase	55.0 % (33 of 60)	55.0 % (33 of 60)
Aromatic	61.4 % (27 of 44)	61.4 % (27 of 44)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. DNA1

CGTTTCXTTC TC

2. DNA2

GAGAAXGAAA CG

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Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.05) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	DNA1	natural abundance		1 mM
2	DNA2	natural abundance		1 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM

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Release date

2012-06-12

Citation

Solution structure, mechanism of replication, and optimization of an unnatural base pair
Malyshev, D.A., Pfaff, D.A., Ippoliti, S.L., Hwang, G.T., Dwyer, T.J., Romesberg, F.E.
Chemistry (2010), 16, 12650-12659, PubMed 20859962 , DOI 10.1002/chem.201000959 , Abstract

Related entities 1. DNA1, : 1 entities Detail

Related entities 2. DNA2, : 1 entities Detail

Experiments performed 2 experiments Detail