BMRB Entry 51158
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51158
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Title: Modified siRNA PubMed: 35263184
Deposition date: 2021-10-27 Original release date: 2022-03-29
Authors: Becette, Owen; Tran, Anh; Jones, Jace; Marino, John; Brinson, Robert
Citation: Becette, Owen; Tran, Anh; Jones, Jace; Marino, John; Brinson, Robert. "Structural Fingerprinting of Short Interfering RNA Therapeutics by Solution Nuclear Magnetic Resonance Spectroscopy" Nucleic Acid Ther. 32, 267-279 (2022).
Assembly members:
entity_1, polymer, 17 residues, Formula weight is not available
entity_2, polymer, 17 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCXXXXXXXXXXXXGTT
entity_2: CGXXXXXXXXXXXXCTT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 87 |
| 15N chemical shifts | 29 |
| 19F chemical shifts | 15 |
| 1H chemical shifts | 168 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Sense siRNA | 1 |
| 2 | Antisense siRNA | 2 |
Entities:
Entity 1, Sense siRNA 17 residues - Formula weight is not available
Antisense strand of the modified siRNA
| 1 | G | C | FA | 5FU | FA | MRG | FC | MRA | FC | 5FU | ||||
| 2 | FG | 5FU | 5FU | MRC | G | DT | DT |
Entity 2, Antisense siRNA 17 residues - Formula weight is not available
Sense strand of the unmodified siRNA
| 1 | C | G | MRA | FA | MRC | FA | MRG | FU | MRG | FC | ||||
| 2 | MRU | FA | MRU | FG | C | DT | DT |
Samples:
sample_1: Sense siRNA 1 mM; Antisense siRNA 1 mM; sodium phosphate 10 mM; sodium chloride 50 mM; sodium azide 0.02%; D2O, [U-99% 2H], 5%
sample_2: Sense siRNA 1 mM; Antisense siRNA 1 mM; sodium phosphate 10 mM; sodium chloride 50 mM; sodium azide 0.02%; D2O, [U-99% 2H], 100%
sample_conditions_1: pH: 6.5; temperature: 288 K
sample_conditions_2: pH: 6.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HMQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HMQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HMQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HMQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-19F HSQC | sample_2 | isotropic | sample_conditions_2 |
| 1D 19F | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-15N HMQC | sample_1 | isotropic | sample_conditions_2 |
Software:
NMRViewJ - data analysis
NMRPipe - processing
TOPSPIN - collection
NMR spectrometers:
- Bruker AVANCE III 900 MHz
- Bruker AVANCE III 600 MHz