BMRB Entry 34895
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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/BMR34895
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Title: Structure of a chair-type antiparallel quadruplex-duplex hybrid at pH 6 PubMed: 38497675
Deposition date: 2024-02-02 Original release date: 2024-03-19
Authors: Vianney, Y.; Weisz, K.
Citation: Vianney, Y.; Jana, J.; Weisz, K.. "A pH-Responsive Topological Switch Based on a DNA Quadruplex-Duplex Hybrid" Chemistry ., .-. (2024).
Assembly members:
entity_1, polymer, 33 residues, 10389.648 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: GGGCGCGAAGCATTCGCGGG
GTTAGGGTTXGGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 38 |
| 1H chemical shifts | 222 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 33 residues - 10389.648 Da.
| 1 | DG | DG | DG | DC | DG | DC | DG | DA | DA | DG | ||||
| 2 | DC | DA | DT | DT | DC | DG | DC | DG | DG | DG | ||||
| 3 | DG | DT | DT | DA | DG | DG | DG | DT | DT | A1H3G | ||||
| 4 | DG | DG | DG |
Samples:
sample_1: DNA (33-MER) 0.9 mM; DNA (33-MER), [U 10%-15N]-Ade, 0.28 mM; DNA (33-MER), [U 10%-15N]-Gua, 0.2 mM
sample_conditions_1: ionic strength: 120 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 1H-15N HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking
Amber v18, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation
TopSpin v4.0.7, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz