BMRB Entry 36390

Name: Left-handed G-quadruplex containing 3 bulges
Published: 2025-10-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36390

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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:

Left-handed G-quadruplex containing 3 bulges

Deposition date:

2020-09-25

Original release date:

2025-10-24

Authors:

Winnerdy, F.; Das, P.; Ngo, K.; Maity, A.; Bakalar, B.; Mechulam, Y.; Schmitt, E.; Phan, A.

Citation:

Citation: Das, Poulomi; Ngo, Khac Huy; Winnerdy, Fernaldo; Maity, Arijit; Bakalar, Blaz; Mechulam, Yves; Schmitt, Emmanuelle; Phan, Anh Tuan. "Bulges in left-handed G-quadruplexes." Nucleic Acids Res. 49, 1724-1736 (2021).
PubMed: 33503265

Assembly members:

Assembly members:
3xBulge-LHG4motif, polymer, 27 residues, 8568.456 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 Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
3xBulge-LHG4motif: GGTGTGTGTGTGTGTGTGGT GGTGGTG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	181

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 27 residues - 8568.456 Da.

1

DG

DT

DG

DT

DG

DT

DG

DT

DG

2

DT

DG

DT

DG

DT

DG

DT

DG

DT

3

DG

DT

DG

DT

DG

Samples:

3Bulge_H2O: 3xBulge-LHG4motif mM; potassium chloride 70 mM; potassium phosphate 20 mM; DSS 20 uM; H2O 90%; D2O, [U-2H], 10%

3Bulge_D2O: 3xBulge-LHG4motif mM; potassium chloride 70 mM; potassium phosphate 20 mM; DSS 20 uM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	3Bulge_H2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	3Bulge_D2O	isotropic	sample_conditions_1

Software:

TopSpin v2.1, Bruker Biospin - collection

TopSpin v2.1, Bruker Biospin - processing

Sparky, Goddard - peak picking

Sparky, Goddard - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker AVANCE II 600 MHz