BMRB Entry 34801
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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/BMR34801
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Title: Solution NMR Structure of Lactamised Alpha-Synuclein 2-12 Peptide in 50% TFE.
Deposition date: 2023-03-30 Original release date: 2024-07-01
Authors: Allen, S.; Williams, C.; Meade, R.; Crump, M.; Mason, J.
Citation: Meade, R.; Allen, S.; Williams, C.; Tang, T.; Crump, M.; Mason, J.. "The N-terminal domain of alpha-Synuclein modulates lipid induced aggregation via competitive inhibition" .
Assembly members:
entity_1, polymer, 13 residues, 1366.692 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: XDVFMKKLSKDKX
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 44 |
15N chemical shifts | 13 |
1H chemical shifts | 94 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 13 residues - 1366.692 Da.
1 | ACE | ASP | VAL | PHE | MET | LYS | LYS | LEU | SER | LYS | ||||
2 | ASP | LYS | NH2 |
Samples:
sample_1: aSyn1-12 1 ± 0.2 mM; potassium phosphate 20 ± 0.2 mM; D2O, [U-99% 2H], 10 ± 0.2 % v/v; 2,2,2-Trifluoroethanol, [U-100% 2H], 50 ± 0.2 % v/v
sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking
DANGLE v1.1, Cheung MS, Maguire ML, Stevens TJ, Broadhurst RW. - data analysis
TopSpin v3.6.1, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker AVANCE NEO 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts