BMRB: 19594

Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC3

Authors

Chung, W., Heddi, B., Hamon, F., Teulade-Fichou, M., Phan, A.

Assembly

G-quadruplex bound to the bisquinolinium compound Phen-DC3

Entity

1. DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3') (polymer, Thiol state: not present), 24 monomers, 7754.905 Da Detail

TGAGGGTGGT GAGGGTGGGG AAGG

2. G-quadruplex bound to the bisquinolinium compound Phen-DC3, entity PQ3 (non-polymer), 550.609 Da

Total weight

8305.514 Da

Max. entity weight

7754.905 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 72.7 %, Completeness (bb): 70.8 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	72.7 % (160 of 220)	72.7 % (160 of 220)
Suger, PO4	70.8 % (119 of 168)	70.8 % (119 of 168)
Nucleobase	78.8 % (41 of 52)	78.8 % (41 of 52)
Aromatic	77.1 % (37 of 48)	77.1 % (37 of 48)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3')

TGAGGGTGGT GAGGGTGGGG AAGG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3')	natural abundance		0.2 ~ 2.0 mM
2	PQ3	natural abundance		0.2 ~ 2.0 mM

Sample #2

Solvent system 100% D2O, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
3	DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3')	natural abundance		1 mM
4	PQ3	[U-100% 13C]-CH3		1 mM

Sample #3

Solvent system 100% D2O, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3')	natural abundance		0.2 ~ 2.0 mM
6	PQ3	natural abundance		0.2 ~ 2.0 mM

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Release date

2014-01-20

Citation

Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC(3)
Chung, W., Heddi, B., Hamon, F., Teulade-Fichou, M., Phan, A.
Angew. Chem Int Ed Engl. (2014), 53, 999-1002, PubMed 24356977 , DOI 10.1002/anie.201308063 , Abstract

Experiments performed 5 experiments Detail