BMRB Entry 50278

Name: Canonical and modified dsDNA 12mers
Published: 2020-06-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50278

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Canonical and modified dsDNA 12mers

Deposition date:

2020-05-17

Original release date:

2020-06-30

Authors:

Dubini, Romeo Cosimo Arrigo; Schon, Alexander; Muller, Markus; Carell, Thomas; Rovo, Petra

Citation:

Citation: Dubini, Romeo Cosimo Arrigo; Schon, Alexander; Muller, Markus; Carell, Thomas; Rovo, Petra. "Impact of 5-Formylcytosine on the Melting Kineticsof DNA by 1H NMR Chemical Exchange" .

Assembly members:

Assembly members:
Mod12 dsDNA, polymer, 12 residues, Formula weight is not available
Can12 dsDNA, polymer, 12 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Mod12 dsDNA: GCGATXGATCGC
Can12 dsDNA: GCGATCGATCGC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
1H chemical shifts	159

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Mod12 dsDNA	1
2	Can12 dsDNA	2

Entities:

Entity 1, Mod12 dsDNA 12 residues - Formula weight is not available

1

DG

DC

DG

DA

DT

5FC

DG

DA

DT

DC

2

DG

DC

Entity 2, Can12 dsDNA 12 residues - Formula weight is not available

1

DG

DC

DG

DA

DT

DC

DG

DA

DT

DC

2

DG

DC

Samples:

sample_1: Mod12 1.58 mM; D2O 5%; H2O 95%; DSS 25 uM; sodium phosphate 15 mM; sodium azide 0.02%; sodium chloride 25 mM

sample_2: Can12 1.00 mM; D2O 5%; H2O 95%; DSS 25 uM; sodium phosphate 15 mM; sodium azide 0.02%; sodium chloride 25 mM

sample_conditions_1: pH: 7; temperature: 310 K

sample_conditions_2: pH: 7; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
1D 1H	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2

Software:

SPARKY v1.414 - chemical shift assignment, peak picking

TOPSPIN v4 - collection, processing

NMR spectrometers:

Bruker Avance 800 MHz