BMRB Entry 34615

Name: Hybrid-2R quadruplex-duplex with (-p-p-l) topology and 3 syn residues
Published: 2021-05-14

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PDB ID: 7o1h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34615
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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:

Hybrid-2R quadruplex-duplex with (-p-p-l) topology and 3 syn residues

Deposition date:

2021-03-29

Original release date:

2021-05-14

Authors:

Mohr, S.; Vianney, Y.; Weisz, K.

Citation:

Citation: Mohr, S.; Jana, J.; Vianney, Y.; Weisz, K.. "Expanding the Topological Landscape by a G-Column Flip of a Parallel G-Quadruplex" Chemistry 27, 10437-10447 (2021).
PubMed: 33955615

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 9873.078 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: XGAGGGTGGGTGGGACGCGC AGCGTXGXTAA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	26
1H chemical shifts	177

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 31 residues - 9873.078 Da.

1

THM

DG

DA

DG

DT

DG

2

DT

DG

DA

DC

DG

DC

DG

DC

3

DA

DG

DC

DG

DT

BGM

DG

BGM

DT

DA

4

DA

Samples:

sample_1: DNA (31-MER) 0.3 mM; potassium phosphate buffer 10 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-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

TopSpin v4.0.7, Bruker Biospin - data analysis

X-PLOR NIH v3.0.3, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Bruker AVANCE NEO 600 MHz