BMRB Entry 25669
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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/BMR25669
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Title: Solution structure of a self complementary Xylonucleic Acid duplex PubMed: 26175047
Deposition date: 2015-06-19 Original release date: 2015-07-21
Authors: Maiti, Mohitosh; Maiti, Munmun; Lescrinier, Eveline; Herdewijn, Piet
Citation: Maiti, Mohitosh; Maiti, Munmun; Knies, Christine; Dumbre, Shrinivas; Lescrinier, Eveline; Rosemeyer, Helmut; Ceulemans, Arnout; Herdewijn, Piet. "Xylonucleic acid: synthesis, structure, and orthogonal pairing properties" Nucleic Acids Res. 43, 7189-7200 (2015).
Assembly members:
XNA, polymer, 8 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):
XNA: XXXXXXXX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 72 |
| 1H chemical shifts | 74 |
| 31P chemical shifts | 7 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | XNA_1 | 1 |
| 2 | XNA_2 | 1 |
Entities:
Entity 1, XNA_1 8 residues - Formula weight is not available
Synthetic polynucleotide sequence
| 1 | 8XG | 8XU | 8XG | 8XU | 8XA | 8XC | 8XA | 8XC |
Samples:
sample_1: XNA 1.5 mM
sample_2: XNA 1.5 mM
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-31P COSY | sample_1 | isotropic | sample_conditions_1 |
| 31P Dec. 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 500 MHz