BMRB Entry 34071
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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/BMR34071
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Title: 2'F-ANA/DNA Chimeric TBA Quadruplex structure PubMed: 28100695
Deposition date: 2016-12-02 Original release date: 2017-01-26
Authors: Lietard, J.; Abou Assi, H.; Gomez-Pinto, I.; Gonzalez, C.; Somoza, M.; Damha, M.
Citation: Lietard, J.; Abou Assi, H.; Gomez-Pinto, I.; Gonzalez, C.; Somoza, M.; Damha, M.. "Mapping the affinity landscape of Thrombin-binding aptamers on 2'F-ANA/DNA chimeric G-Quadruplex microarrays." Nucleic Acids Res. 45, 1619-1632 (2017).
Assembly members:
entity_1, polymer, 15 residues, 4761.042 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: GGXTGGTGTGGTTGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 146 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 15 residues - 4761.042 Da.
| 1 | DG | DG | TAF | DT | DG | DG | DT | DG | DT | DG | ||||
| 2 | DG | DT | DT | DG | DG |
Samples:
sample_1: DNA (5'-D(*GP*GP*(FT)P*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3') 1.0 mg/mL; NaPi 10 mM; KCl 25 mM
sample_conditions_1: ionic strength: 35 mM; pH: 7.0; pressure: 1 atm; temperature: 279.6 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
DYANA, Guntert, Braun and Wuthrich - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE 800 MHz
- Bruker AVANCE 600 MHz