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BMRB: 34244

Concerted dynamics of metallo-base pairs in an A/B-form helical transition (major 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') major
Entity
1. DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3') major (polymer), 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: 95.7 %, Completeness (bb): 94.9 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All95.7 % (132 of 138)95.7 % (132 of 138)
Suger, PO494.9 % (93 of 98)94.9 % (93 of 98)
Nucleobase97.5 % (39 of 40)97.5 % (39 of 40)
Aromatic96.4 % (27 of 28)96.4 % (27 of 28)
Methyl100.0 % (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') major

CGTCTCATGA TACG

Show sample condition
Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.35, Details 0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1polydeoxyribonucleotidenone0.4 mM
2MERCURY (II) IONnone1.2 mM
Sample #2

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


#NameIsotope labelingTypeConcentration
3polydeoxyribonucleotidenone0.4 mM
4MERCURY (II) IONnone1.2 mM

Release date
2018-07-11
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 ,
Experiments performed 7 experiments Detail
Chemical shift validation 4 contents Detail
Keywords A-form helix, B-form helix, DNA, mercury(II)-mediated base pair, metallated duplex DNA