BMRB Entry 30184
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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/BMR30184
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Title: Solution structure of parallel stranded adenosine duplex r(AAAA)-dA-r(AAA) PubMed: 28973475
Deposition date: 2016-09-27 Original release date: 2017-08-04
Authors: Denisov, A.; Noronha, A.; Gehring, K.; Wilds, C.
Citation: Copp, William; Denisov, Alexey; Xie, Jingwei; Noronha, Anne; Liczner, Christopher; Safaee, Nozhat; Wilds, Christopher; Gehring, Kalle. "Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA." Nucleic Acids Res. 45, 10321-10331 (2017).
Assembly members:
RNA/DNA (5'-D(P*T)-R(*(A2M)P*(A2M)P*(A2M)P*(A2M))-D(P*A)-R(P*(A2M)P*(A2M)P*(A2M))-3'), polymer, 9 residues, 2975.072 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
RNA/DNA (5'-D(P*T)-R(*(A2M)P*(A2M)P*(A2M)P*(A2M))-D(P*A)-R(P*(A2M)P*(A2M)P*(A2M))-3'): XXXXXXXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 95 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, chain 1 | 1 |
| 2 | entity_1, chain 2 | 1 |
Entities:
Entity 1, entity_1, chain 1 9 residues - 2975.072 Da.
| 1 | DT | A2M | A2M | A2M | A2M | DA | A2M | A2M | A2M |
Samples:
sample_1: TA8 duplex 1.0 mM; H2O 90%; D2O 10%
sample_2: TA8 duplex 1.0 mM; D2O 100%
sample_conditions_1: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 283 K
sample_conditions_2: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 31P-1H HSQC | sample_2 | isotropic | sample_conditions_2 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
VNMR, Varian - collection
NMR spectrometers:
- Varian UNITY 800 MHz
- Varian VNMRS 500 MHz