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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/BMR34438
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Pavc, D.; Wang, B.; Spindler, L.; Drevensek-Olenik, I.; Plavec, J.; Sket, P.. "GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly" Nucleic Acids Res. 48, 2749-2761 (2020).
PubMed: 31996902
Assembly members:
entity_1, polymer, 14 residues, 4451.877 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCGGAGGGGAGGCG
Data type | Count |
1H chemical shifts | 132 |
31P chemical shifts | 13 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
2 | unit_2 | 1 |
Entity 1, unit_1 14 residues - 4451.877 Da.
1 | DG | DC | DG | DG | DA | DG | DG | DG | DG | DA | ||||
2 | DG | DG | DC | DG |
sample_1: GCnCG, [8% 13C; 8% 15N], 1 mM; sodium chloride 175 mM; sodium phosphate buffer 10 mM
sample_2: GCnCG 1 mM; sodium chloride 175 mM; sodium phosphate buffer 10 mM
sample_3: GCnCG 1 mM; sodium chloride 175 mM; sodium phosphate buffer 10 mM
sample_conditions_1: ionic strength: 175 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 175 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
sample_conditions_3: ionic strength: 175 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D NOESY | sample_2 | isotropic | sample_conditions_2 |
2D NOESY | sample_2 | isotropic | sample_conditions_2 |
2D NOESY | sample_3 | isotropic | sample_conditions_3 |
2D NOESY | sample_3 | isotropic | sample_conditions_3 |
2D TOCSY | sample_3 | isotropic | sample_conditions_3 |
2D DQF-COSY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-31P COSY | sample_3 | isotropic | sample_conditions_3 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
VNMR, Varian - chemical shift assignment, collection, processing
Sparky, Goddard - peak picking
Amber v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation