BMRB Entry 34834

Name: (3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs
Published: 2023-11-11

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PDB ID: 8pse
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34834
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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:

(3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs

Deposition date:

2023-07-13

Original release date:

2023-11-11

Authors:

Jana, J.; Vianney, Y.; Schroder, N.; Weisz, K.

Citation:

Citation: Vianney, Y.; Schroder, N.; Jana, J.; Chojetzki, G.; Weisz, K.. "Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect." J. Am. Chem. Soc. 145, 22194-22205 (2023).
PubMed: 37751488

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 7362.564 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AGGGTAGGGCGGCGXGTACG GGT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	25
1H chemical shifts	144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 23 residues - 7362.564 Da.

1

DA

DG

DT

DA

DG

DC

2

DG

DC

DG

BGM

DG

DT

DA

DC

DG

3

DG

DT

Samples:

sample_1: DNA 0.6 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC aromatic	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 DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

Amber v18, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation

TopSpin v4.0.7, Bruker Biospin - data analysis

NMR spectrometers:

Bruker AVANCE NEO 600 MHz