BMRB Entry 34714

Title:
Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex
Deposition date:
2022-03-21
Original release date:
2022-08-26
Authors:
Ghosh, A.; Trajkovski, M.; Teulade-Fichou, M.; Gabelica, V.; Plavec, J.
Citation:

Citation: Ghosh, A.; Trajkovski, M.; Teulade-Fichou, M.; Gabelica, V.; Plavec, J.. "Phen-DC3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation"  Angew. Chem. Int. Ed. Engl. 61, e202207384-e202207384 (2022).
PubMed: 35993443

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 7287.690 Da.
entity_PQ3, non-polymer, 550.609 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: TAGGGTTAGGGTTAGGGTTA GGG

Data sets:
Data typeCount
1H chemical shifts231

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 23 residues - 7287.690 Da.

1   DTDADGDGDGDTDTDADGDG
2   DGDTDTDADGDGDGDTDTDA
3   DGDGDG

Entity 2, unit_2 - C34 H26 N6 O2 - 550.609 Da.

1   PQ3

Samples:

sample_1: 23TAG, 13C at guanine, 200 uM; KCl 70 mM; potassium phosphate 20 mM

sample_2: 23TAG, 15N at guanine, 200 uM; KCl 70 mM; potassium phosphate 20 mM

sample_3: 23TAG 500 uM; KCl 70 mM; potassium phosphate 20 mM

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

Amber v20, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation

NMRFAM-SPARKY v1.414, Lee, Woonghee, Marco Tonelli, and John L. Markley - chemical shift assignment

TopSpin v4.1.3, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz
  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE NEO 600 MHz