BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34444

Title: 2'-F-arabinoguanosine and 2'-F-riboguanosine modified hybrid type G-quadruplex with V-loop

Deposition date: 2019-11-05 Original release date: 2020-03-20

Authors: Haase, L.; Weisz, K.

Citation: Haase, L.; Weisz, K.. "Switching the type of V-loop in sugar-modified G-quadruplexes through altered fluorine interactions"  Chem. Commun. (Camb.) ., .-. (2020).

Assembly members:
entity_1, polymer, 22 residues, 7008.473 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GGGATGGGACACAXXGGACG GG

Data sets:
Data typeCount
13C chemical shifts20
19F chemical shifts2
1H chemical shifts115

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 22 residues - 7008.473 Da.

1   DGDGDGDADTDGDGDGDADC
2   DADCDAGFLGF2DGDGDADCDG
3   DGDG

Samples:

sample_1: A14F15 0.4 mM; potassium phosphate buffer 10 mM

sample_2: A14F15 0.4 mM; potassium phosphate buffer 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 19F-1H HOESYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, processing

CcpNmr Analysis, CCPN - chemical shift assignment

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

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

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz