BMRB Entry 50615

Name: DDD DNA
Published: 2021-05-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50615

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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:

DDD DNA

Deposition date:

2020-12-02

Original release date:

2021-05-28

Authors:

Meints, Gary

Citation:

Citation: Westwood, M.; Ljunggren, K.; Boyd, Benjamin; Becker, Jaclyn; Dwyer, Tammy; Meints, Gary. "Single-Base Lesions and Mismatches Alter the Backbone Conformational Dynamics in DNA." Biochemistry 60, 873-885 (2021).
PubMed: 33689312

Assembly members:

Assembly members:
entity_1, 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):
entity_1: CGCGAATTCGCG

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	164
31P chemical shifts	77

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA	1

Entities:

Entity 1, DNA 12 residues - Formula weight is not available

1

DC

DG

DC

DG

DA

DT

DC

DG

2

DC

DG

Samples:

sample_1: DNA 1.0 ± 0.1 mM

sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 278 K

sample_conditions_2: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 283 K

sample_conditions_3: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 288 K

sample_conditions_4: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 293 K

sample_conditions_5: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

sample_conditions_6: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 303 K

sample_conditions_7: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 308 K

sample_conditions_8: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_5
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_5
2D 1H-31P HSQC	sample_1	isotropic	sample_conditions_5
1D 31P	sample_1	isotropic	sample_conditions_2
1D 31P	sample_1	isotropic	sample_conditions_3
1D 31P	sample_1	isotropic	sample_conditions_4
1D 31P	sample_1	isotropic	sample_conditions_5
1D 31P	sample_1	isotropic	sample_conditions_6
1D 31P	sample_1	isotropic	sample_conditions_7
1D 31P	sample_1	isotropic	sample_conditions_8
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2

Software:

VNMRj v4.2 - collection

NMR spectrometers:

Varian INOVA 400 MHz