BMRB Entry 34834
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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/BMR34834
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Title: (3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs PubMed: 37751488
Deposition date: 2023-07-13 Original release date: 2023-11-11
Authors: Jana, J.; Vianney, Y.; Schroder, N.; Weisz, K.
Citation: Vianney, Y.; Schroder, N.; Jana, J.; Chojetzki, G.; Weisz, K.. "Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect." J. Am. Chem. Soc. 145, 22194-22205 (2023).
Assembly members:
entity_1, polymer, 23 residues, 7362.564 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: AGGGTAGGGCGGCGXGTACG
GGT
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 25 |
1H chemical shifts | 144 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 23 residues - 7362.564 Da.
1 | DA | DG | DG | DG | DT | DA | DG | DG | DG | DC | ||||
2 | DG | DG | DC | DG | BGM | DG | DT | DA | DC | DG | ||||
3 | DG | DG | DT |
Samples:
sample_1: DNA 0.6 mM
sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment
Amber v18, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation
TopSpin v4.0.7, Bruker Biospin - data analysis
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz