BMRB Entry 34835

Title:
G-quadruplex with a 1-nt V-shaped loop from a G-rich sequence with five G-runs
Deposition date:
2023-07-13
Original release date:
2023-11-11
Authors:
Vianney, Y.; Schroeder, N.; Jana, J.; Weisz, K.
Citation:

Citation: Vianney, Y.; Schroder, N.; Jana, J.; Chojetzki, G.; Weisz, K.. "Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect."  J. Am. Chem. Soc. 145, 22194-22205 (2023).
PubMed: 37751488

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 6995.475 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: synthetic construct

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGGTAGGGCGGCGGGGCAGG GT

Data sets:
Data typeCount
13C chemical shifts39
1H chemical shifts150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 22 residues - 6995.475 Da.

1   DGDGDGDTDADGDGDGDCDG
2   DGDCDGDGDGDGDCDADGDG
3   DGDT

Samples:

sample_1: DNA 1 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

Amber v18, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation

TopSpin v4.0.7, Bruker Biospin - data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz