BMRB Entry 34210
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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/BMR34210
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Title: 2'F-araG modified quadruplex with flipped G-tract and central tetrad PubMed: 29460996
Deposition date: 2017-11-30 Original release date: 2018-04-20
Authors: Dickerhoff, J.; Weisz, K.
Citation: Dickerhoff, J.; Weisz, K.. "Fluorine-Mediated Editing of a G-Quadruplex Folding Pathway." Chembiochem 19, 927-930 (2018).
Assembly members:
entity_1, polymer, 22 residues, 6990.482 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: GGGATGGGACACAGGGGACG
GG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 24 |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 22 residues - 6990.482 Da.
| 1 | DG | DG | DG | DA | DT | DG | DG | DG | DA | DC | ||||
| 2 | DA | DC | DA | DG | GFL | DG | DG | DA | DC | DG | ||||
| 3 | DG | DG |
Samples:
sample_1: DNA 0.37 mM; potassium phosphate 10 mM
sample_2: DNA 0.37 mM; potassium phosphate 10 mM
sample_conditions_1: ionic strength: 10 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 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
Analysis, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz