BMRB Entry 27796
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27796
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Title: Chemical Shift Assignments for native alpha-synuclein
Deposition date: 2019-02-21 Original release date: 2020-07-24
Authors: Marino, Laura; Adrover, Miquel; Vilanova, Bartolom
Citation: Marino, Laura; Ramis, Rafael; Casasnovas, Rodrigo; Ortega-Castro, Joaquin; Vilanova, Bartolome; Frau, Juan; Adrover, Miquel. "Unravelling the effect of N(epsilon)-(carboxyethyl)lysine on the conformation, dynamics and aggregation propensity of alpha-synuclein" Chem. Sci. 11, 3332-3344 (2020).
Assembly members:
aS, polymer, 140 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pT7-7
Entity Sequences (FASTA):
aS: MDVFMKGLSKAKEGVVAAAE
KTKQGVAEAAGKTKEGVLYV
GSKTKEGVVHGVATVAEKTK
EQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQL
GKNEEGAPQEGILEDMPVDP
DNEAYEMPSEEGYQDYEPEA
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 393 |
15N chemical shifts | 133 |
1H chemical shifts | 284 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | alpha-synuclein | 1 |
Entities:
Entity 1, alpha-synuclein 140 residues - Formula weight is not available
1 | MET | ASP | VAL | PHE | MET | LYS | GLY | LEU | SER | LYS | |
2 | ALA | LYS | GLU | GLY | VAL | VAL | ALA | ALA | ALA | GLU | |
3 | LYS | THR | LYS | GLN | GLY | VAL | ALA | GLU | ALA | ALA | |
4 | GLY | LYS | THR | LYS | GLU | GLY | VAL | LEU | TYR | VAL | |
5 | GLY | SER | LYS | THR | LYS | GLU | GLY | VAL | VAL | HIS | |
6 | GLY | VAL | ALA | THR | VAL | ALA | GLU | LYS | THR | LYS | |
7 | GLU | GLN | VAL | THR | ASN | VAL | GLY | GLY | ALA | VAL | |
8 | VAL | THR | GLY | VAL | THR | ALA | VAL | ALA | GLN | LYS | |
9 | THR | VAL | GLU | GLY | ALA | GLY | SER | ILE | ALA | ALA | |
10 | ALA | THR | GLY | PHE | VAL | LYS | LYS | ASP | GLN | LEU | |
11 | GLY | LYS | ASN | GLU | GLU | GLY | ALA | PRO | GLN | GLU | |
12 | GLY | ILE | LEU | GLU | ASP | MET | PRO | VAL | ASP | PRO | |
13 | ASP | ASN | GLU | ALA | TYR | GLU | MET | PRO | SER | GLU | |
14 | GLU | GLY | TYR | GLN | ASP | TYR | GLU | PRO | GLU | ALA |
Samples:
sample_1: aS, [U-99% 13C; U-99% 15N], 220 uM; sodium phosphate 20 mM; NaCl 150 mM
sample_conditions_1: ionic strength: 0.180 M; pH: 6.5; pressure: 1 atm; temperature: 285.5 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts