BMRB: 5737

Structure of the parallel-stranded DNA quadruplex d(TTAGGGA)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulation.

Authors

Gavathiotis, E., Searle, M.S.

Assembly

5'-D(*TP*TP*AP*GP*GP*GP*T)-3'

Entity

1. 5'-D(*TP*TP*AP*GP*GP*GP*T)-3' (polymer, Thiol state: not present), 7 monomers, 2231.417 × 4 Da Detail

TTAGGGT

Total weight

8925.668 Da

Max. entity weight

2231.417 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.4 %, Completeness (bb): 87.8 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	86.4 % (57 of 66)	86.4 % (57 of 66)
Suger, PO4	87.8 % (43 of 49)	87.8 % (43 of 49)
Nucleobase	82.4 % (14 of 17)	82.4 % (14 of 17)
Aromatic	78.6 % (11 of 14)	78.6 % (11 of 14)
Methyl	100.0 % (3 of 3)	100.0 % (3 of 3)

1. 5'-D(*TP*TP*AP*GP*GP*GP*T)-3'

TTAGGGT

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	5'-D(*TP*TP*AP*GP*GP*GP*T)-3'			6.4 mM
2	KCl			100 mM
3	K2HPO4			10 mM
4	EDTA			0.1 mM
5	NaN3			0.1 mM
6	H2O			90 %
7	D2O			10 %

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Release date

2003-09-14

Citation

Structure of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulations
Gavathiotis, E., Searle, M.S.
Org. Biomol. Chem. (2003), 1, 1650-1656, PubMed 12926351 , DOI 10.1039/b300845m , Abstract

Experiments performed 3 experiments Detail