BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 34615

Title: Hybrid-2R quadruplex-duplex with (-p-p-l) topology and 3 syn residues   PubMed: 33955615

Deposition date: 2021-03-29 Original release date: 2021-05-14

Authors: Mohr, S.; Vianney, Y.; Weisz, K.

Citation: Mohr, S.; Jana, J.; Vianney, Y.; Weisz, K.. "Expanding the Topological Landscape by a G-Column Flip of a Parallel G-Quadruplex"  Chemistry ., .-. (2021).

Assembly members:
entity_1, polymer, 31 residues, 9873.078 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XGAGGGTGGGTGGGACGCGC AGCGTXGXTAA

Data sets:
Data typeCount
13C chemical shifts26
1H chemical shifts177

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 31 residues - 9873.078 Da.

1   THMDGDADGDGDGDTDGDGDG
2   DTDGDGDGDADCDGDCDGDC
3   DADGDCDGDTBGMDGBGMDTDA
4   DA

Samples:

sample_1: DNA (31-MER) 0.3 mM; potassium phosphate buffer 10 mM

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

TopSpin v4.0.7, Bruker Biospin - data analysis

X-PLOR NIH v3.0.3, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz