BMRB Entry 30282
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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/BMR30282
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Title: Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1 PubMed: 28617590
Deposition date: 2017-04-12 Original release date: 2017-06-23
Authors: Chen, J.; VanEtten, D.; Fountain, M.; Yildirim, I.; Disney, M.
Citation: Chen, J.; VanEtten, D.; Fountain, M.; Yildirim, I.; Disney, M.. "Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1" Biochemistry 56, 3463-3474 (2017).
Assembly members:
entity_1, polymer, 15 residues, 4829.970 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: GACCAGCAGCAGGUC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
Entities:
Entity 1, entity_1, 1 15 residues - 4829.970 Da.
| 1 | G | A | C | C | A | G | C | A | G | C | ||||
| 2 | A | G | G | U | C |
Samples:
sample_1: EDTA 0.25 mM; RNA (5'-R(*GP*AP*CP*CP*AP*GP*CP*AP*G)-3'), NA Adenosine, Cytidine,Guanosine, Uridine, 0.5 mM; potassium phosphate 5.0 mM
sample_2: EDTA 0.25 mM; RNA (5'-R(*GP*AP*CP*CP*AP*GP*CP*AP*G)-3'), NA Adenosine, Cytidine,Guanosine, Uridine, 0.5 mM; potassium phosphate 5.0 mM
sample_conditions_2: ionic strength: 0.0112 M; pH: 6; pressure: 1 atm; temperature: 278 K
sample_conditions_1: ionic strength: 0.0112 M; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation
AMBER v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - data analysis, refinement
NMRPipe v8.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.0, Goddard - chemical shift assignment, peak picking
TOPSPIN v3.5, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance III HD UltraShield 700 MHz
- Bruker Avance III HD Ascend 850 MHz