BMRB Entry 34277
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34277
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: tc-DNA/tc-DNA duplex PubMed: 30916334
Deposition date: 2018-05-29 Original release date: 2018-06-04
Authors: Istrate, A.; Johannsen, S.; Istrate, A.; Sigel, R.; Leumann, C.
Citation: Istrate, A.; Johannsen, S.; Istrate, A.; Sigel, R.; Leumann, C.. "NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance" Nucleic Acids Res. 47, 4872-4882 (2019).
Assembly members:
entity_1, polymer, 10 residues, 3432.555 Da.
entity_2, polymer, 10 residues, 3502.577 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):
entity_1: XXXXXXXXXX
entity_2: XXXXXXXXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 190 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 10 residues - 3432.555 Da.
| 1 | TCJ | EAN | TCJ | F4Q | F4Q | TCJ | EAN | EAN | TCY | TCJ |
Entity 2, entity_2 10 residues - 3502.577 Da.
| 1 | F4Q | EAN | TCY | TCY | F4Q | TCJ | TCJ | F4Q | TCY | F4Q |
Samples:
sample_1: tc-DNA/tc-DNA 0.5 mM; tc-DNA/tc-DNA 0.5 mM; NaCl 50 mM; NaH2PO4 10 mM
sample_2: tc-DNA/tc-DNA 0.5 mM; tc-DNA/tc-DNA 0.5 mM; NaCl 50 mM; NaH2PO4 10 mM
sample_3: tc-DNA/tc-DNA 0.5 mM; tc-DNA/tc-DNA 0.5 mM; NaCl 50 mM; NaH2PO4 10 mM
sample_conditions_1: ionic strength: 60 mM; pH: 7.05; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 60 mM; pH: 7.05; pressure: 1 atm; temperature: 283 K
sample_conditions_3: ionic strength: 60 mM; pH: 7.05; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_3 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
GROMOS, van Gunsteren and Berendsen - refinement
SPARKY, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AvanceII 700 MHz