BMRB Entry 25915
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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/BMR25915
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Title: Photoswitchable G-quadruplex PubMed: 26805928
Deposition date: 2015-12-02 Original release date: 2016-02-15
Authors: Thevarpadam, Julie; Bessi, Irene; Binas, Oliver; Goncalves, Diana; Slavov, Chavdar; Jonker, Hendrik; Richter, Christian; Wachtveitl, Josef; Schwalbe, Harald; Heckel, Alexander
Citation: Thevarpadam, Julie; Bessi, Irene; Binas, Oliver; Goncalves, Diana; Slavov, Chavdar; Jonker, Hendrik; Richter, Christian; Wachtveitl, Josef; Schwalbe, Harald; Heckel, Alexander. "Photoresponsive formation of an intermolecular minimal G-quadruplex motif" Angew. Chem. Int. Ed. 55, 2738-2742 (2016).
Assembly members:
DNA_(5'-D(*GP*GP*(AZW)P*GP*G)-3'), polymer, 5 residues, 1252.861 Da.
entity_K, non-polymer, 39.098 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: DNA solid-phase synthesis Host organism: not applicable
Entity Sequences (FASTA):
DNA_(5'-D(*GP*GP*(AZW)P*GP*G)-3'): GGXGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 34 |
| 1H chemical shifts | 48 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3')_1 | 1 |
| 2 | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3')_2 | 1 |
| 3 | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3')_3 | 1 |
| 4 | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3')_4 | 1 |
| 5 | POTASSIUM ION_1 | 2 |
| 6 | POTASSIUM ION_2 | 2 |
| 7 | POTASSIUM ION_3 | 2 |
Entities:
Entity 1, DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3')_1 5 residues - 1252.861 Da.
| 1 | DG | DG | AZW | DG | DG |
Entity 2, POTASSIUM ION_1 - K - 39.098 Da.
| 1 | K |
Samples:
sample_H2O: DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3') 550 uM; Tris-HCl 25 mM; KCl 50 mM
sample_D2O: DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3') 550 uM; Tris-HCl 25 mM; KCl 50 mM
sample_conditions: ionic strength: 71 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_D2O | isotropic | sample_conditions |
| 2D 1H-13C HMBC | sample_H2O | isotropic | sample_conditions |
| 2D 1H-31P TOCSY | sample_D2O | isotropic | sample_conditions |
| 2D 1H-1H P.E. COSY | sample_D2O | isotropic | sample_conditions |
| 2D 1H-1H NOESY | sample_H2O | isotropic | sample_conditions |
| 2D 1H-1H NOESY | sample_D2O | isotropic | sample_conditions |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ARIA v1.2, Linge, O'Donoghue and Nilges - refinement, structure solution
TOPSPIN v3.2, Bruker Biospin - collection, processing
SPARKY v3.114, Goddard - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz