BMRB: 34245

Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species)

Authors

Schmidt, O.P., Jurt, S., Johannsen, S., Karimi, A., Sigel, R.K.O., Luedtke, N.W.

Assembly

DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3') minor

Entity

1. DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3') minor (polymer, Thiol state: not present), 14 monomers, 4318.750 × 2 Da Detail

CGTCTCATGA TACG

2. MERCURY (II) ION (non-polymer), 200.590 × 2 Da

Total weight

9038.68 Da

Max. entity weight

4318.75 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 48.6 %, Completeness (bb): 42.9 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	48.6 % (67 of 138)	48.6 % (67 of 138)
Suger, PO4	42.9 % (42 of 98)	42.9 % (42 of 98)
Nucleobase	62.5 % (25 of 40)	62.5 % (25 of 40)
Aromatic	75.0 % (21 of 28)	75.0 % (21 of 28)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

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

CGTCTCATGA TACG

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.35, Details 0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	polydeoxyribonucleotide	natural abundance		0.4 mM
2	MERCURY (II) ION	natural abundance		1.2 mM

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Release date

2018-05-23

Citation

Concerted dynamics of metallo-base pairs in an A/B-form helical transition
Schmidt, O.P., Jurt, S., Johannsen, S., Karimi, A., Sigel, R.K.O., Luedtke, N.W.
Nat. Commun. (2019), 10, 4818-4818, PubMed 31645548 , DOI 10.1038/s41467-019-12440-x , Abstract

Experiments performed 5 experiments Detail

Chemical shift validation 4 contents Detail