BMRB Entry 34332

Name: Human telomeric G-quadruplex with 8-oxo-G substitution in the outer G-quartet
Published: 2019-01-25

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PDB ID: 6ia4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34332
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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 with 8-oxo-G substitution in the outer G-quartet

Deposition date:

2018-11-26

Original release date:

2019-01-25

Authors:

Bielskute, S.; Plavec, J.; Podbevsek, P.

Citation:

Citation: Bielskute, S.; Plavec, J.; Podbevsek, P.. "Impact of Oxidative Lesions on the Human Telomeric G-quadruplex" J. Am. Chem. Soc. 141, 2594-2603 (2019).
PubMed: 30657306

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 7607.883 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: TTGGGTTAGGGTTAGGGTTA XGGA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	157

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 24 residues - 7607.883 Da.

1

DT

DG

DT

DA

DG

2

DG

DT

DA

DG

DT

DA

3

8OG

DG

DA

Samples:

sample_1: DNA 1 ± 0.2 mM; potassium phosphate buffer 20 mM; KCl 70 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation

NMR spectrometers:

Agilent DDR2 800 MHz