BMRB Entry 34353
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34353
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Title: TINA-conjugated antiparallel DNA triplex
Deposition date: 2019-01-16 Original release date: 2020-02-03
Authors: Garavis, M.; Edwards, P.; Doluca, O.; Filichev, V.; Gonzalez, C.
Citation: Garavis, M.; Edwards, P.; Doluca, O.; Filichev, V.; Gonzalez, C.. "Three-dimensional structure of a TINA-conjugated antiparallel DNA triplex" . ., .-..
Assembly members:
entity_1, polymer, 7 residues, 2024.348 Da.
entity_2, polymer, 7 residues, 2211.486 Da.
entity_3, polymer, 8 residues, 2652.881 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: TCCTCCT
entity_2: AGGAGGA
entity_3: TGGTGXGT
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 178 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
| 3 | entity_3 | 3 |
Entities:
Entity 1, entity_1 7 residues - 2024.348 Da.
| 1 | DT | DC | DC | DT | DC | DC | DT |
Entity 2, entity_2 7 residues - 2211.486 Da.
| 1 | DA | DG | DG | DA | DG | DG | DA |
Entity 3, entity_3 8 residues - 2652.881 Da.
| 1 | DT | DG | DG | DT | DG | J32 | DG | DT |
Samples:
sample_1: Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM
sample_2: Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM
sample_conditions_1: ionic strength: 125 mM; pH: 7.0; pressure: 1 atm; temperature: 279.6 K
sample_conditions_2: ionic strength: 125 mM; pH: 7; pressure: 1 atm; temperature: 300.4 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
Software:
TopSpin, Bruker Biospin - collection
Sparky, Goddard - chemical shift assignment
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker AVANCE 800 MHz