BMRB Entry 25110
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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/BMR25110
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Title: Solution structure of a left-handed G-quadruplex PubMed: 25695967
Deposition date: 2014-07-25 Original release date: 2015-02-16
Authors: Chung, Wan Jun; Heddi, Brahim; Schmitt, Emmanuelle; Lim, Kah Wai; Mechulam, Yves; Phan, Anh Tuan
Citation: Chung, Wan Jun; Heddi, Brahim; Schmitt, Emmanuelle; Lim, Kah Wai; Mechulam, Yves; Phan, Anh Tuan. "Structure of a left-handed DNA G-quadruplex" Proc. Natl. Acad. Sci. U. S. A. 112, 2729-2733 (2015).
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): TGGTGGTGGTGGTTGTGGTG
GTGGTGTT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 267 |
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 | DG | DG | DT | DT | DG | DT | DG | DG | DT | DG | ||||
| 3 | DG | DT | DG | DG | DT | DG | DT | DT |
Samples:
sample_1: DNA (28-MER)0.2 – 2 mM; DNA (28-MER), [U-2% 15N], 0.2 – 0.5 mM; DNA (28-MER), [U-100% 2H], 0.2 – 0.5 mM; H2O 90%; D2O 10%
sample_2: DNA (28-MER)0.2 – 2 mM; DNA (28-MER), [U-4% 13C; U-4% 15N], 0.2 – 1 mM; D2O 100%
sample_conditions_1: ionic strength: 90 mM; pH: 7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H JR NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C JR HMBC | sample_1 | isotropic | sample_conditions_1 |
| 15N-FILTERED | sample_1 | isotropic | sample_conditions_1 |
| D-LABELED | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz