BMRB Entry 34302
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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/BMR34302
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Title: The major G-quadruplex form of HIV-1 LTR PubMed: 30299955
Deposition date: 2018-07-11 Original release date: 2018-10-12
Authors: Phan, A.; Heddi, B.; Butovskaya, E.; Bakalar, B.; Richter, S.
Citation: Butovskaya, E.; Heddi, B.; Bakalar, B.; Richter, S.; Phan, A.. "Major G-Quadruplex Form of HIV-1 LTR Reveals a (3 + 1) Folding Topology Containing a Stem-Loop" J. Am. Chem. Soc. 140, 13654-13662 (2018).
Assembly members:
entity_1, polymer, 28 residues, 8865.647 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GGGAGGCGTGGCCTGGGCGG
GACTGGGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 229 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 28 residues - 8865.647 Da.
| 1 | DG | DG | DG | DA | DG | DG | DC | DG | DT | DG | ||||
| 2 | DG | DC | DC | DT | DG | DG | DG | DC | DG | DG | ||||
| 3 | DG | DA | DC | DT | DG | DG | DG | DG |
Samples:
sample_1: potassium chloride 70 mM; potassium phosphate 20 mM; DNA (28-MER) 1 mM
sample_conditions_1: ionic strength: 90 mM; pH: 7.0; pressure: 1 Pa; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | 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-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceII 600 MHz
- Bruker AvanceII 700 MHz