BMRB Entry 25651
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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/BMR25651
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Title: Isolation and structural characterization of an active G-quadruplex motif from AGRO100
Deposition date: 2015-06-05 Original release date: 2016-07-05
Authors: Chung, Wan Jun; Heddi, Brahim; Phan, Anh Tuan
Citation: Chung, Wan Jun; Heddi, Brahim; Phan, Anh Tuan. "Isolation and structural characterization of an active G-quadruplex motif from AGRO100" Not known ., .-..
Assembly members:
DNA_(28-MER), polymer, 28 residues, 8872.726 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_(28-MER): TGGTGGTGGTTGTTGTGGTG
GTGGTGGT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 247 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA (28-MER) | 1 |
Entities:
Entity 1, DNA (28-MER) 28 residues - 8872.726 Da.
| 1 | DT | DG | DG | DT | DG | DG | DT | DG | DG | DT | ||||
| 2 | DT | DG | DT | DT | DG | DT | DG | DG | DT | DG | ||||
| 3 | DG | DT | DG | DG | DT | DG | DG | DT |
Samples:
sample_1: DNA (28-MER)1.2 – 2 mM; KPi 20 mM; KCl 70 mM; H20 90%; D20 10%
sample_2: DNA (28-MER), [U-2% 15N], 0.2 – 1 mM; KPi 20 mM; KCl 70 mM; H20 90%; D20 10%
sample_3: DNA (28-MER)1.2 – 2 mM; KPi 20 mM; KCl 70 mM; D20 100%
sample_4: DNA (28-MER), [U-100% 2H], 0.2 – 1 mM; KPi 20 mM; KCl 70 mM; D20 100%
sample_conditions_1: ionic strength: 90 mM; pH: 7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 1D 15N-Filtered | sample_2 | isotropic | sample_conditions_1 |
| 1D D-labeled | sample_4 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - geometry optimization, refinement, structure solution
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement, structure solution
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz