BMRB Entry 51337

Name: 5caC-containing dsDNA 12mers at three pH conditions
Published: 2022-02-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51337

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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: 5caC-containing dsDNA 12mers at three pH conditions PubMed: 35637781

Deposition date: 2022-02-22 Original release date: 2022-02-28

Authors: Dubini, Romeo Cosimo Arrigo; Korytiakova, Eva; Schinkel, Thea; Heinrichs, Pia; Carell, Thomas; Rovo, Petra

Citation: Dubini, Romeo Cosimo Arrigo; Korytiakova, Eva; Schinkel, Thea; Heinrichs, Pia; Carell, Thomas; Rovo, Petra. "1H NMR Chemical Exchange Techniques Reveal Local and Global Effects of Oxidized Cytosine Derivatives" ACS Phys. Chem. Au. 2, 237-246 (2022).

Assembly members:
entity_1, polymer, 12 residues, Formula weight is not available

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

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GCGATXGATCGC

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	34
15N chemical shifts	15
1H chemical shifts	248

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5caC dsDNA	1

Entities:

Entity 1, 5caC dsDNA 12 residues - Formula weight is not available

1

DG

DC

DG

DA

DT

1CC

DG

DA

DT

DC

2

DG

DC

Samples:

sample_1: 5caC-modified 12mer dsDNA 0.66 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 310 K

sample_conditions_2: pH: 5.8; pressure: 1 atm; temperature: 310 K

sample_conditions_3: pH: 4.7; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_3
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_3

Software:

NMRFAM-SPARKY v3.11 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz