BMRB: 34174

2'F-ANA-G modified quadruplex with a flipped tetrad

Authors

Dickerhoff, J., Weisz, K.

Assembly

artificial quadruplex with propeller, diagonal, and lateral loop

Entity

1. artificial quadruplex with propeller, diagonal, and lateral loop (polymer, Thiol state: not present), 22 monomers, 7089.434 Da Detail

XGGATXGGAC ACAGGGGACX GG

Formula weight

7089.434 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.4 %, Completeness: 78.7 %, Completeness (bb): 77.4 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	78.7 % (140 of 178)	78.7 % (140 of 178)
Suger, PO4	77.4 % (103 of 133)	77.4 % (103 of 133)
Nucleobase	82.2 % (37 of 45)	82.2 % (37 of 45)
Aromatic	94.7 % (36 of 38)	94.7 % (36 of 38)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. entity 1

XGGATXGGAC ACAGGGGACX GG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.58 mM DNA, 10 mM potassium phosphate, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA	natural abundance		0.58 mM
2	potassium phosphate	natural abundance		10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.58 mM DNA, 10 mM potassium phosphate, 100% D2O

#	Name	Isotope labeling	Type	Concentration
3	DNA	natural abundance		0.58 mM
4	potassium phosphate	natural abundance		10 mM

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Release date

2017-10-08

Citation

Non-Conventional C-H···F Hydrogen Bonds Support a Tetrad Flip in Modified G-Quadruplexes
Dickerhoff, J., Weisz, K.
J. Phys. Chem. Lett. (2017), 5148-5152, PubMed 28976755 , DOI 10.1021/acs.jpclett.7b02428 , Abstract

Experiments performed 8 experiments Detail