BMRB Entry 19784
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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/BMR19784
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Title: Solution structure of the G-triplex truncated-TBA PubMed: 25378342
Deposition date: 2014-02-10 Original release date: 2014-11-17
Authors: Cerofolini, Linda; Fragai, Marco; Giachetti, Andrea; Limongelli, Vittorio; Luchinat, Claudio; Novellino, Ettore; Parrinello, Michele; Randazzo, Antonio
Citation: Cerofolini, Linda; Fragai, Marco; Giachetti, Andrea; Limongelli, Vittorio; Luchinat, Claudio; Novellino, Ettore; Parrinello, Michele; Randazzo, Antonio. "G-triplex structure and formation propensity" Nucleic Acids Res. ., .-. (2014).
Assembly members:
DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), polymer, 11 residues, 3476.284 Da.
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):
DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'): GGTTGGTGTGG
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 66 |
1H chemical shifts | 119 |
31P chemical shifts | 9 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') | 1 |
Entities:
Entity 1, DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') 11 residues - 3476.284 Da.
1 | DG | DG | DT | DT | DG | DG | DT | DG | DT | DG | ||||
2 | DG |
Samples:
sample_1: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') 0.7 mM; potassium chloride 70 mM; potassium phosphate 10 mM; EDTA 0.2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.08 M; pH: 7; pressure: 1 atm; temperature: 274 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-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
2D JR-HMBC | sample_1 | isotropic | sample_conditions_1 |
E.COSY | sample_1 | isotropic | sample_conditions_1 |
2D 31P-1H HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 31P-1H COSY | sample_1 | isotropic | sample_conditions_1 |
2D 13C-1H HSQC | sample_1 | isotropic | sample_conditions_1 |
IPAP | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CARA v2.1, Keller and Wuthrich - chemical shift assignment
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 800 MHz
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
- Bruker DRX 500 MHz
- Bruker Avance 950 MHz