BMRB Entry 50378

Name: M2, M2-L1, M2-L3, M2-L1L3 G-quadruplexes + Trisubstituted Naphtalene Diimide NDI-5
Published: 2021-07-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50378

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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:

M2, M2-L1, M2-L3, M2-L1L3 G-quadruplexes + Trisubstituted Naphtalene Diimide NDI-5

Deposition date:

2020-07-06

Original release date:

2021-07-27

Authors:

Platella, Chiara; Trajkovski, Marko; Doria, Filippo; Freccero, Mauro; Plavec, Janez; Montesarchio, Daniela

Citation:

Citation: Platella, Chiara; Trajkovski, Marko; Doria, Filippo; Freccero, Mauro; Plavec, Janez; Montesarchio, Daniela. "On the interaction of an anticancer trisubstituted naphthalene diimide with G-quadruplexes of different topologies: a structural insight" Nucleic Acids Res. 48, 12380-12393 (2020).
PubMed: 33170272

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, Formula weight is not available
entity_2, polymer, 20 residues, Formula weight is not available
entity_3, polymer, 20 residues, Formula weight is not available
entity_4, polymer, 20 residues, Formula weight is not available

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: TAGGGACGGGCGGGCAGGGT
entity_2: TAGGGXXGGGCGGGCAGGGT
entity_3: TAGGGACGGGCGGGXXGGGT
entity_4: TAGGGXXGGGCGGGXXGGGT

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	763

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	M2+NDI-5	1
2	M2-L1+NDI-5	2
3	M2-L3+NDI-5	3
4	M2-L1L3+NDI-5	4

Entities:

Entity 1, M2+NDI-5 20 residues - Formula weight is not available

1		DT	DA	DG	DG	DG	DA	DC	DG	DG	DG
2		DC	DG	DG	DG	DC	DA	DG	DG	DG	DT

Entity 2, M2-L1+NDI-5 20 residues - Formula weight is not available

1		DT	DA	DG	DG	DG	3DR	3DR	DG	DG	DG
2		DC	DG	DG	DG	DC	DA	DG	DG	DG	DT

Entity 3, M2-L3+NDI-5 20 residues - Formula weight is not available

1		DT	DA	DG	DG	DG	DA	DC	DG	DG	DG
2		DC	DG	DG	DG	3DR	3DR	DG	DG	DG	DT

Entity 4, M2-L1L3+NDI-5 20 residues - Formula weight is not available

1		DT	DA	DG	DG	DG	3DR	3DR	DG	DG	DG
2		DC	DG	DG	DG	3DR	3DR	DG	DG	DG	DT

Samples:

sample_1: M2 G-quadruplex 0.2 mM; M2-L1 G-quadruplex 0.2 mM; M2-L3 G-quadruplex 0.2 mM; M2-L1L3 G-quadruplex 0.2 mM; KCl 100 mM; potassium phosphate buffer 20 mM

sample_conditions_1: ionic strength: 0.120 M; 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

Software:

SPARKY - chemical shift assignment

NMR spectrometers:

Varian Uniform NMR System 600 MHz
Varian Uniform NMR System 800 MHz
Bruker AVANCE NEO 600 MHz