BMRB Entry 34722
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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/BMR34722
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Title: Structure of a parallel G-quadruplex with a snapback loop PubMed: 35758626
Deposition date: 2022-03-31 Original release date: 2022-06-09
Authors: Jana, J.; Vianney, Y.; Schroeder, N.; Weisz, K.
Citation: Jana, J.; Vianney, Y.; Schroeder, N.; Weisz, K.. "Guiding the folding of G-quadruplexes through loop residue interactions" Nucleic Acid Res. 50, 7161-7175 (2022).
Assembly members:
entity_1, polymer, 23 residues, 7153.664 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: XGGCTAGGGTCAGGGTGGGT
CAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 26 |
| 1H chemical shifts | 148 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 23 residues - 7153.664 Da.
| 1 | THM | DG | DG | DC | DT | DA | DG | DG | DG | DT | ||||
| 2 | DC | DA | DG | DG | DG | DT | DG | DG | DG | DT | ||||
| 3 | DC | DA | DG |
Samples:
sample_1: DNA 0.3 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-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
X-PLOR NIH v3.0.3, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
TopSpin v4.0.7, Bruker Biospin - processing
CcpNmr Analysis v2.4.2, CCPN - data analysis, peak picking
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz