BMRB Entry 34467

Name: Pre-folded structures govern folding pathways of human telomeric G-quadruplexes
Published: 2020-01-02

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PDB ID: 6tr2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34467
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Pre-folded structures govern folding pathways of human telomeric G-quadruplexes PubMed: 31950178

Deposition date: 2019-12-17 Original release date: 2020-01-02

Authors: Wang, B.; Frelih, T.; Plavec, J.; Sket, P.

Citation: Baifan, W.; Tjasa, F.; Janez, P.; Primoz, S.. "Pre-folded structures govern folding pathways of human telomeric G-quadruplexes" Nucleic Acids Res. 48, 2189-2197 (2020).

Assembly members:
entity_1, polymer, 23 residues, 7287.690 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):
entity_1: TAGGGTTAGGGTTAGGGTTA GGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	50

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 23 residues - 7287.690 Da.

1

DT

DA

DG

DT

DA

DG

2

DG

DT

DA

DG

DT

DA

3

DG

Samples:

sample_1: GCN, [8% 13C; 8% 15N], 1 mM

sample_2: GCN 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 5; pressure: 1 atm; temperature: 278 K

Experiments:

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

Software:

VNMR, Varian - processing

Sparky, Goddard - chemical shift assignment, peak picking

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

NMR spectrometers:

Agilent Agilent Agilent Technologies DD2 600 MHz NMR spectrometer 600 MHz