BMRB: 30114

Structural impact of single ribonucleotides in DNA

Authors

Evich, M., Spring-Connell, A.M., Storici, F., Germann, M.W.

Assembly

DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3')

Entity

1. DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), entity 1 (polymer, Thiol state: not present), 9 monomers, 2825.781 Da Detail

TTAGGCCTG

2. DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), entity 2 (polymer, Thiol state: not present), 9 monomers, 2787.785 Da Detail

CAGGCCTAA

Total weight

5613.566 Da

Max. entity weight

2825.781 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 50.0 %, Completeness: 71.1 %, Completeness (bb): 73.6 % Detail

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Polymer type: polydeoxyribonucleotide/polyribonucleotide hybrid

	Total	1H	31P
All	71.1 % (69 of 97)	69.3 % (61 of 88)	88.9 % (8 of 9)
Suger, PO4	73.6 % (53 of 72)	71.4 % (45 of 63)	88.9 % (8 of 9)
Nucleobase	64.0 % (16 of 25)	64.0 % (16 of 25)
Aromatic	83.3 % (15 of 18)	83.3 % (15 of 18)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

2. entity 2

CAGGCCTAA

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 294 K, pH 6.6, Details 1 mM DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3'), 1 mM DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), 100 % 100% deuterium D2O, 100 mM sodium chloride, 10 mM sodium phosphate, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	D2O	100% deuterium		100 %
2	DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3')	natural abundance		1 mM
3	DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3')	natural abundance		1 mM
4	sodium chloride	natural abundance		100 mM
5	sodium phosphate	natural abundance		10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 294 K, pH 6.6, Details 1 mM DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3'), 1 mM DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), 100 mM sodium chloride, 10 mM sodium phosphate, 10 % 100% deuterium D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	D2O	100% deuterium		10 %
7	DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3')	natural abundance		1 mM
8	DNA/RNA (5'-D(*TP*TP*AP*G)-R(P*G)-D(P*CP*CP*TP*G)-3')	natural abundance		1 mM
9	sodium chloride	natural abundance		100 mM
10	sodium phosphate	natural abundance		10 mM

Hide sample codition

Release date

2016-08-21

Citation

Structural impact of single ribonucleotides in DNA
Evich, M., Spring-Connell, A.M., Storici, F., Germann, M.W.
Chembiochem. (2016), 17, 1968-1977, PubMed 27504600 , DOI 10.1002/cbic.201600385 , Abstract

Experiments performed 10 experiments Detail