BMRB Entry 34444
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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/BMR34444
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Title: 2'-F-arabinoguanosine and 2'-F-riboguanosine modified hybrid type G-quadruplex with V-loop PubMed: 32202271
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.) 56, 4539-4542 (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
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 20 |
19F chemical shifts | 2 |
1H chemical shifts | 115 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 22 residues - 7008.473 Da.
1 | DG | DG | DG | DA | DT | DG | DG | DG | DA | DC | ||||
2 | DA | DC | DA | GFL | GF2 | DG | DG | DA | DC | DG | ||||
3 | DG | DG |
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:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
2D TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
2D 19F-1H HOESY | sample_1 | isotropic | sample_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