BMRB: 36160

Solution structure for the unique dimeric 4:2 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex

Authors

Liu, W.T., Zhong, Y.F., Liu, L.Y., Zeng, W.J., Wang, F.Y., Yang, D.Z., Mao, Z.W.

Assembly

G-quadruplex DNA (26-MER)

Entity

1. G-quadruplex DNA (26-MER) (polymer, Thiol state: not present), 26 monomers, 8299.294 × 2 Da Detail

AAAGGGTTAG GGTTAGGGTT AGGGAA

2. 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline (non-polymer), 1371.303 × 4 Da

Total weight

22083.8 Da

Max. entity weight

8299.294 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.3 %, Completeness (bb): 100.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	98.3 % (236 of 240)	98.3 % (236 of 240)
Suger, PO4	100.0 % (182 of 182)	100.0 % (182 of 182)
Nucleobase	93.1 % (54 of 58)	93.1 % (54 of 58)
Aromatic	92.3 % (48 of 52)	92.3 % (48 of 52)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. G-quadruplex DNA (26-MER)

AAAGGGTTAG GGTTAGGGTT AGGGAA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1 mM 15N Thymine G-quadruplex DNA (26-MER), 3 mM Pt-tripod, 25 mM potassium phosphate, 70 mM potassium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	G-quadruplex DNA (26-MER)	[U-15N]-Thy	protein	1 mM
2	Pt-tripod	natural abundance		3 mM
3	potassium chloride	natural abundance	salt	70 mM
4	potassium phosphate	natural abundance	buffer	25 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1 mM G-quadruplex DNA (26-MER), 3 mM Pt-tripod, 25 mM potassium phosphate, 70 mM potassium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
7	G-quadruplex DNA (26-MER)	natural abundance	protein	1 mM
8	Pt-tripod	natural abundance		3 mM
9	potassium chloride	natural abundance	salt	70 mM
10	potassium phosphate	natural abundance	buffer	25 mM
11	H2O	natural abundance	solvent	90 %
12	D2O	[U-2H]	solvent	10 %

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Release date

2019-01-27

Citation

Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding
Liu, W., Zhong, Y.F., Liu, L.Y., Shen, C.T., Zeng, W., Wang, F., Yang, D., Mao, Z.W.
Nat. Commun. (2018), 9, 3496-3496, PubMed 30158518 , DOI 10.1038/s41467-018-05810-4 , Abstract

Related entities 1. G-quadruplex DNA (26-MER), : 2 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 4 contents Detail