BMRB Entry 34136

Name: M2 G-quadruplex 20 wt% ethylene glycol
Published: 2018-04-06

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PDB ID: 5nyt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34136
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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:

M2 G-quadruplex 20 wt% ethylene glycol

Deposition date:

2017-05-11

Original release date:

2018-04-06

Authors:

Trajkovski, M.; Plavec, J.; Endoh, T.; Tateishi-Karimata, H.; Sugimoto, N.

Citation:

Citation: Trajkovski, Marko; Endoh, Tamaki; Tateishi-Karimata, Hisae; Ohyama, Tatsuya; Tanaka, Shigenori; Plavec, Janez; Sugimoto, Naoki. "Pursuing origins of (poly)ethylene glycol-induced G-quadruplex structural modulations" Nucleic Acids Res. 46, 4301-4315 (2018).
PubMed: 29648656

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, 6321.064 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 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: TAGGGACGGGCGGGCAGGGT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	184

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 20 residues - 6321.064 Da.

1		DT	DA	DG	DG	DG	DA	DC	DG	DG	DG
2		DC	DG	DG	DG	DC	DA	DG	DG	DG	DT

Samples:

sample_1: M2 20EG 0.2 mM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 bar; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D DQF-COSY	sample_1	anisotropic	sample_conditions_1

Software:

AMBER v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation

VNMR, Varian - collection

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Agilent-Varian Agilent-Varian 'Uniform NMR System' 1 600 MHz
Agilent-Varian Agilent-Varian 'Uniform NMR System' 2 800 MHz