BMRB Entry 18452
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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/BMR18452
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Title: Solution structure of a mini i-motif PubMed: 23042679
Deposition date: 2012-05-09 Original release date: 2012-10-15
Authors: Escaja, N.; Viladoms, J.; Villasante, A.; Pedroso, E.; Gonzalez, C.
Citation: Escaja, Nuria; Viladoms, Julia; Garavis, Miguel; Villasante, Alfredo; Pedroso, Enrique; Gonzalez, Carlos. "A minimal i-motif stabilized by minor groove G:T:G:T tetrads." Nucleic Acids Res. 40, 11737-11747 (2012).
Assembly members:
Synthetic_cyclic_oligonucleotide, polymer, 10 residues, 3017.002 Da.
DNA_1, polymer, 10 residues, 3321.197 Da.
entity_3, polymer, 10 residues, 945.025 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):
Synthetic_cyclic_oligonucleotide: TCGTTTCGTT
DNA_1: TCGTTTCGTT
entity_3: TCGTTTCGTT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Synthetic cyclic oligonucleotide | 1 |
| 2 | DNA_1 | 2 |
| 3 | entity_3_1 | 3 |
| 4 | entity_3_2 | 3 |
Entities:
Entity 1, Synthetic cyclic oligonucleotide 10 residues - 3017.002 Da.
| 1 | DT | DC | DG | DT | DT | DT | DC | DG | DT | DT |
Entity 2, DNA_1 10 residues - 3321.197 Da.
| 1 | DT | DC | DG | DT | DT | DT | DC | DG | DT | DT |
Entity 3, entity_3_1 10 residues - 945.025 Da.
| 1 | THR | CYS | GLY | THR | THR | THR | CYS | GLY | THR | THR |
Samples:
sample: Synthetic cyclic oligonucleotide 0.5 mM; NaCl 150 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 125 mM; pH: 5.0; pressure: 1 atm; temperature: 279 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample | isotropic | sample_conditions_1 |
| DQF-COSY | sample | isotropic | sample_conditions_1 |
Software:
AMBER v7.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker avance 600 MHz
- Bruker avance 800 MHz