BMRB Entry 34845
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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/BMR34845
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Trajkovski, M.; Pastore, A.; Plavec, J.. "Dimeric NMR structures of DNA ATTTC repeats in neurodegenerative diseases promoted by divalent cations" .
Assembly members:
entity_1, polymer, 15 residues, 4500.951 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: ATTTXATTTCATTTC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 168 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 15 residues - 4500.951 Da.
| 1 | DA | DT | DT | DT | DNR | DA | DT | DT | DT | DC | ||||
| 2 | DA | DT | DT | DT | DC |
Samples:
sample_1: d(ATTTC)3 0.8 mM
sample_2: d(ATTTC)3, [U-13C; U-15N], 0.8 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 bar; temperature: 278 K
sample_conditions_2: ionic strength: 40 mM; pH: 6.0; pressure: 1 bar; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | anisotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | anisotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_2 | anisotropic | sample_conditions_2 |
Software:
TopSpin, Bruker Biospin - data analysis
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation
NMRFAM-SPARKY, Lee, Tonelli and Markley - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
- Bruker AVANCE NEO 800 MHz