BMRB Entry 36203

Name: Structure of a G-quadruplex
Published: 2025-09-27

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PDB ID: 6ac7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36203
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structure of a G-quadruplex

Deposition date:

2018-07-25

Original release date:

2025-09-27

Authors:

Sengar, A.; Vandana, J.; Chambers, V.; Di Antonio, M.; Winnerdy, F.; Balasubramanian, S.; Phan, A.

Citation:

Citation: Sengar, Anjali; Vandana, J Jeya; Chambers, Vicki; Di Antonio, Marco; Winnerdy, Fernaldo; Balasubramanian, Shankar; Phan, Anh Tuan. "Structure of a (3+1) hybrid G-quadruplex in the PARP1 promoter." Nucleic Acids Res. 47, 1564-1572 (2019).
PubMed: 30551210

Assembly members:

Assembly members:
5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*GP*AP*GP*GP*CP*GP*GP*GP*GP*CP*TP*TP*GP*GP*G)-3', polymer, 23 residues, 7250.629 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 Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*GP*AP*GP*GP*CP*GP*GP*GP*GP*CP*TP*TP*GP*GP*G)-3': TGGGGTCCGAGGCGGGGCTT GGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	176

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 - 7250.629 Da.

1

DT

DG

DT

DC

DG

DA

2

DG

DC

DG

DC

DT

3

DG

Samples:

TP3-T6-H2O: TP3-T6 1 mM; potassium chloride 70 mM; KH2PO4 7.7 mM; K2HPO4 12.3 mM; H2O 90%; D2O, [U-2H], 10%

TP3-T6-D2O: TP3-T6 1 mM; potassium chloride 70 mM; KH2PO4 7.7 mM; K2HPO4 12.3 mM; D2O, [U-2H], 100%

15N_samples: TP3-T6, U-4% 15N Guanine, 0.4 mM; potassium chloride 70 mM; KH2PO4 7.7 mM; K2HPO4 12.3 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	TP3-T6-H2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	TP3-T6-H2O	isotropic	sample_conditions_2
2D 1H-1H NOESY	TP3-T6-D2O	isotropic	sample_conditions_1
1D 1H-15N HMQC	15N_samples	isotropic	sample_conditions_1

Software:

X-PLOR NIH v2.42, Schwieters, Kuszewski, Tjandra and Clore - refinement

X-PLOR NIH v2.42, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Sparky v3.12, Goddard - chemical shift assignment

Sparky v3.12, Goddard - peak picking

NMR spectrometers:

Bruker AVANCE III 600 MHz
Bruker AVANCE III 800 MHz