BMRB Entry 34265
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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/BMR34265
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Title: Solution structure of the r(UGGUGGU)4 RNA quadruplex PubMed: 30341177
Deposition date: 2018-04-25 Original release date: 2018-10-26
Authors: Andralojc, W.; Gdaniec, Z.
Citation: Andralojc, W.; Malgowska, M.; Sarzynska, J.; Pasternak, K.; Szpotkowski, K.; Kierzek, R.; Gdaniec, Z.. "Unraveling the structural basis for the exceptional stability of RNA G-quadruplexes capped by a uridine tetrad at the 3' terminus." RNA 25, 121-134 (2019).
Assembly members:
entity_1, polymer, 7 residues, 2254.363 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: UGGUGGU
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 44 |
| 1H chemical shifts | 169 |
| 31P chemical shifts | 7 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_1, 3 | 1 |
| 4 | entity_1, 4 | 1 |
Entities:
Entity 1, entity_1, 1 7 residues - 2254.363 Da.
| 1 | U | G | G | U | G | G | U |
Samples:
sample_1: pUGGUGGU 2.0 mM; phosphate buffer 10 mM; potassium chloride 50 mM
sample_2: pUGGUGGU 2.0 mM; phosphate buffer 10 mM; potassium chloride 0.05 mM
sample_conditions_1: ionic strength: 0.06 M; pH: 6.8; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.06 M; pH: 6.8; pressure: 1 atm; temperature: 278 K
sample_conditions_3: ionic strength: 0.06 M; pH: 6.8; pressure: 1 bar; temperature: 333 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_3 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_3 |
| 2D 1H-31P COSY | sample_1 | isotropic | sample_conditions_3 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceIII 700 MHz