BMRB Entry 34135
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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/BMR34135
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Title: M2 G-quadruplex dilute solution PubMed: 29648656
Deposition date: 2017-05-11 Original release date: 2018-04-06
Authors: Trajkovski, M.; Plavec, J.; Endoh, T.; Tateishi-Karimata, H.; Sugimoto, N.
Citation: Trajkovski, Marko; Endoh, Tamaki; Tateishi-Karimata, Hisae; Ohyama, Tatsuya; Tanaka, Shigenori; Plavec, Janez; Sugimoto, Naoki. "Pursuing origins of (poly)ethylene glycol-induced G-quadruplex structural modulations" Nucleic Acids Res. 46, 4301-4315 (2018).
Assembly members:
entity_1, polymer, 20 residues, 6321.064 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: TAGGGACGGGCGGGCAGGGT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 182 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 20 residues - 6321.064 Da.
| 1 | DT | DA | DG | DG | DG | DA | DC | DG | DG | DG | |
| 2 | DC | DG | DG | DG | DC | DA | DG | DG | DG | DT |
Samples:
sample_1: M2 0.2 mM; potassium chloride 100 mM; potassium phosphate 20 mM
sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 bar; temperature: 298 K
sample_conditions_2: ionic strength: 120 mM; pH: 7.0; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
Software:
AMBER v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation
VNMRJ, Varian - collection
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Agilent-Varian Agilent-Varian 'Uniform NMR System' 1 600 MHz
- Agilent-Varian Agilent-Varian 'Uniform NMR System' 2 800 MHz