BMRB Entry 34978

Name: Human telomeric G-quadruplex
Published: 2025-12-03

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PDB ID: 9i5s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34978
MolProbity Validation Chart

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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:

Human telomeric G-quadruplex

Deposition date:

2025-01-28

Original release date:

2025-12-03

Authors:

Avendano Avila, C.; Heddi, B.

Citation:

Citation: Avendano Avila, C.; Heddi, B.. "Human telomeric G-quadruplex" .

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 7670.779 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GTTAGGGTTAXGGTTAGGGT TAGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	145
1H chemical shifts	224

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 24 residues - 7670.779 Da.

1

DG

DT

DA

DG

DT

DA

2

BGM

DG

DT

DA

DG

DT

3

DT

DA

DG

Samples:

sample_1: potassium chloride 70 mM; potassium phosphate 20 mM; DSS 5 uM; D2O 10%; Human telomeric DNA 2 mM

sample_2: potassium chloride 70 mM; potassium phosphate 20 mM; DSS 5 uM; D2O 10%; Human telomeric DNA 2 mM

sample_3: potassium chloride 70 mM; potassium phosphate 20 mM; DSS 5 uM; D2O 10%; Human telomeric DNA, [U-13C; U-15N]-Gua 3%, 2 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 Pa; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
1D 1H-15N HMQC	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY, Woonghee Lee, Marco Tonelli, John L Markley - chemical shift assignment, peak picking

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

NMR spectrometers:

Bruker AVANCE III 600 MHz
Bruker AVANCE II 800 MHz