BMRB Entry 34615
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34615
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Hybrid-2R quadruplex-duplex with (-p-p-l) topology and 3 syn residues PubMed: 33955615
Deposition date: 2021-03-29 Original release date: 2021-05-14
Authors: Mohr, S.; Vianney, Y.; Weisz, K.
Citation: Mohr, S.; Jana, J.; Vianney, Y.; Weisz, K.. "Expanding the Topological Landscape by a G-Column Flip of a Parallel G-Quadruplex" Chemistry 27, 10437-10447 (2021).
Assembly members:
entity_1, polymer, 31 residues, 9873.078 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XGAGGGTGGGTGGGACGCGC
AGCGTXGXTAA
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 26 |
1H chemical shifts | 177 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 31 residues - 9873.078 Da.
1 | THM | DG | DA | DG | DG | DG | DT | DG | DG | DG | ||||
2 | DT | DG | DG | DG | DA | DC | DG | DC | DG | DC | ||||
3 | DA | DG | DC | DG | DT | BGM | DG | BGM | DT | DA | ||||
4 | DA |
Samples:
sample_1: DNA (31-MER) 0.3 mM; potassium phosphate buffer 10 mM
sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment
TopSpin v4.0.7, Bruker Biospin - data analysis
X-PLOR NIH v3.0.3, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz