BMRB Entry 19402

Name: Structure of an antiparallel (2+2) G-quadruplex formed by human telomeric repeats in Na+ solution (with G22-to-BrG substitution)
Published: 2013-09-16

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PDB ID: 2mbj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19402
MolProbity Validation Chart

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3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure of an antiparallel (2+2) G-quadruplex formed by human telomeric repeats in Na+ solution (with G22-to-BrG substitution) PubMed: 23999095

Deposition date: 2013-08-02 Original release date: 2013-09-16

Authors: Lim, Kah Wai; Ng, Veronica Chinn Min; Martin-Pintado, Nerea; Heddi, Brahim; Phan, Anh Tuan

Citation: Lim, Kah Wai; Ng, Veronica Chinn Min; Martin-Pintado, Nerea; Heddi, Brahim; Phan, Anh Tuan. "Structure of the human telomere in Na+ solution: an antiparallel (2+2) G-quadruplex scaffold reveals additional diversity." Nucleic Acids Res. 41, 10556-10562 (2013).

Assembly members:
DNA_(27-MER), polymer, 27 residues, 8592.441 Da.

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):
DNA_(27-MER): TTAGGGTTAGGGTTAGGGTT AXGGTTA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	229

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA (27-MER)	1

Entities:

Entity 1, DNA (27-MER) 27 residues - 8592.441 Da.

1

DT

DA

DG

DT

DA

DG

2

DG

DT

DA

DG

DT

3

DA

BGM

DG

DT

DA

Samples:

sample_1: DNA (27-MER)1 – 2 mM; H2O 90%; D2O 10%

sample_2: DNA (27-MER)1 – 2 mM; D2O 100%

sample_3: DNA (27-MER), [U-2% 15N], 0.5 – 2 mM; H2O 90%; D2O 10%

sample_4: DNA (27-MER), [U-100% 2H], 0.2 – 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H JR NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C JR HMBC	sample_1	isotropic	sample_conditions_1
H-D EXCHANGE	sample_1	isotropic	sample_conditions_1
15N-FILTERED	sample_3	isotropic	sample_conditions_1
D-LABELED	sample_4	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

FELIX v2007, Felix NMR, Inc. - peak picking

X-PLOR NIH v2.29, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz