BMRB Entry 28081

Name: Trimolecular G-quadruplex
Published: 2021-01-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28081

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Trimolecular G-quadruplex PubMed: 33524157

Deposition date: 2020-02-17 Original release date: 2021-01-25

Authors: Jing, Haitao; Fu, Wenqiang; Zhang, Na

Citation: Jing, Haitao; Fu, Wenqiang; Hu, Wenxuan; Xu, Suping; Xu, Xiaojuan; He, Miao; Liu, Yangzhong; Zhang, Na. "NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance" Nucleic Acid Res. 49, 2306-2316 (2021).

Assembly members:
Trimolecular_G-quadruplex, polymer, 18 residues, Formula weight is not available

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Trimolecular_G-quadruplex: GTTAGGGTTAGGGTTAGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	27
15N chemical shifts	9
1H chemical shifts	167

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Chain A	1
2	Chain B	1
3	Chain C	1

Entities:

Entity 1, Chain A 18 residues - Formula weight is not available

1

DG

DT

DA

DG

DT

DA

2

DG

DT

DA

DG

Samples:

sample_H2O: Trimolecular G-quadruplex 8 mM; sodium phosphate 20 mM; sodium chloride 100 mM; D2O, [U-99% 2H], 10%; H2O 90%

sample_D2O: Trimolecular G-quadruplex 8 mM; sodium phosphate 20 mM; sodium chloride 100 mM; D2O, [U-99% 2H], 100%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_H2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_H2O	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_D2O	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz