BMRB Entry 19017

Name: Solution structure of an intramolecular propeller-type G-quadruplex containing a single bulge
Published: 2013-05-30

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PDB ID: 2m4p
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19017
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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:

Solution structure of an intramolecular propeller-type G-quadruplex containing a single bulge

Deposition date:

2013-02-08

Original release date:

2013-05-30

Authors:

Thachappilly Mukundan, Vineeth

Citation:

Citation: Mukundan, Vineeth Thachappilly; Phan, Anh Tuan. "Bulges in g-quadruplexes: broadening the definition of g-quadruplex-forming sequences." J. Am. Chem. Soc. 135, 5017-5028 (2013).
PubMed: 23521617

Assembly members:

Assembly members:
DNA_1, polymer, 19 residues, 6034.914 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available 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):
DNA_1: TTGTGGTGGGTGGGTGGGT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	183

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA_1	1

Entities:

Entity 1, DNA_1 19 residues - 6034.914 Da.

1

DT

DG

DT

DG

DT

DG

2

DT

DG

DT

DG

DT

Samples:

sample_1: DNA_10.1 – 2.0 mM; H2O 90%; D2O 10%; Potassium Ion 60 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C JR-HMBC	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker Avance 600 MHz