BMRB: 18199

Structural Basis for Bifunctional Zn(II) Macrocyclic Complex Recognition of Thymine Bulges in DNA. Structure of a Thymine bulge.

Authors

Morrow, J.R., Fountain, M.A., del Mundo, I.A., Siter, K.E.

Assembly

DNA 1

Entity

1. DNA 1 (polymer, Thiol state: not present), 12 monomers, 3727.352 Da Detail

GGCCGCAGTG CC

Formula weight

3727.352 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.3 %, Completeness: 38.7 %, Completeness (bb): 36.9 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	38.7 % (46 of 119)	38.7 % (46 of 119)
Suger, PO4	36.9 % (31 of 84)	36.9 % (31 of 84)
Nucleobase	42.9 % (15 of 35)	42.9 % (15 of 35)
Aromatic	58.3 % (14 of 24)	58.3 % (14 of 24)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. DNA 1

GGCCGCAGTG CC

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, Details 0.1M NaCl 0.02M HEPES Buffer pD(7.9)

#	Name	Isotope labeling	Type	Concentration
1	DNA_1	natural abundance		1.8 mM
2	D2O	natural abundance		100 %
3	NaCl	natural abundance		0.1 M
4	HEPES	natural abundance		0.02 M

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, Details 0.1M NaCl 0.02M HEPES Buffer pD(7.9)

#	Name	Isotope labeling	Type	Concentration
5	DNA_1	natural abundance		1.8 mM
6	H2O	natural abundance		90 %
7	D2O	natural abundance		10 %
8	NaCl	natural abundance		0.1 M
9	HEPES	natural abundance		0.02 M

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Release date

2012-05-07

Citation

Structural basis for bifunctional zinc(II) macrocyclic complex recognition of thymine bulges in DNA
Del Mundo, I., Siters, K.E., Fountain, M.A., Morrow, J.R.
Inorg. Chem. (2012), 51, 5444-5457, PubMed 22507054 , DOI 10.1021/ic3004245 , Abstract

Experiments performed 4 experiments Detail