BMRB Entry 34499

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34499
MolProbity Validation Chart

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Title:
2'-F-riboguanosine and LNA modified hybrid type G-quadruplex with V-loop
Deposition date:
2020-03-19
Original release date:
2020-08-31
Authors:
Weisz, K.; Haase, L.
Citation:

Citation: Haase, Linn; Weisz, Klaus. "Locked nucleic acid building blocks as versatile tools for advanced G-quadruplex design"  Nucleic Acids Res. 48, 10555-10566 (2020).
PubMed: 32890406

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 7018.492 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: GGGATGGGACACAXXGGACG GG

Data sets:
Data typeCount
13C chemical shifts21
1H chemical shifts113

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 22 residues - 7018.492 Da.

1   DGDGDGDADTDGDGDGDADC
2   DADCDAGF2LCGDGDGDADCDG
3   DGDG

Samples:

sample_1: F14L15 0.4 mM; potassium phosphate buffer 10 mM

sample_2: F14L15 0.4 mM; potassium phosphate buffer 10 mM

sample_conditions_1: ionic strength: 15 mM; pH: 7; pressure: 1 atm; temperature: 308 K

sample_conditions_2: ionic strength: 15 mM; pH: 7; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_2

Software:

TopSpin v4.0.4, Bruker Biospin - processing

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

X-PLOR NIH v2.49, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz