BMRB Entry 50378

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 typeCount
1H chemical shifts763

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1M2+NDI-51
2M2-L1+NDI-52
3M2-L3+NDI-53
4M2-L1L3+NDI-54

Entities:

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

1   DTDADGDGDGDADCDGDGDG
2   DCDGDGDGDCDADGDGDGDT

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

1   DTDADGDGDG3DR3DRDGDGDG
2   DCDGDGDGDCDADGDGDGDT

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

1   DTDADGDGDGDADCDGDGDG
2   DCDGDGDG3DR3DRDGDGDGDT

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

1   DTDADGDGDG3DR3DRDGDGDG
2   DCDGDGDG3DR3DRDGDGDGDT

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:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_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