BMRB Entry 50852
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50852
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Title: Sequential backbone assignment of mature a-Synuclein fibrils prepared from a-helical intermediate species PubMed: 35907572
Deposition date: 2021-03-26 Original release date: 2021-04-19
Authors: Ahlawat, Sahil; Mehra, Surabhi; Gowda, Chandrakala; Maji, Samir; Agarwal, Vipin
Citation: Mehra, Surabhi; Ahlawat, Sahil; Kumar, Harish; Datta, Debalina; Navalkar, Ambuja; Singh, Nitu; Patel, Komal; Gadhe, Laxmikant; Kadu, Pradeep; Kumar, Rakesh; Jha, Narendra; Sakunthala, Arunima; Sawner, Ajay; Padinhateeri, Ranjith; Udgaonkar, Jayant; Agarwal, Vipin; Maji, Samir. "a-Synuclein Aggregation Intermediates form Fibril Polymorphs with Distinct Prion-like Properties" J. Mol. Biol. 434, 167761-167761 (2022).
Assembly members:
entity_1, 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: pRK172
Entity Sequences (FASTA):
entity_1: MDVFMKGLSKAKEGVVAAAE
KTKQGVAEAAGKTKEGVLYV
GSKTKEGVVHGVATVAEKTK
EQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQL
GKNEEGAPQEGILEDMPVDP
DNEAYEMPSEEGYQDYEPEA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 261 |
| 15N chemical shifts | 81 |
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: alpha synuclein, [U-100% 13C; U-100% 15N], 11 mg; glycine 20 mM; sodium azide 0.01%; H2O 100%
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 280 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DARR | sample_1 | isotropic | sample_conditions_1 |
| NCACX DARR | sample_1 | isotropic | sample_conditions_1 |
| NCOCX DARR | sample_1 | isotropic | sample_conditions_1 |
| CONCA | sample_1 | isotropic | sample_conditions_1 |
| 2D NCA | sample_1 | isotropic | sample_conditions_1 |
| 2D NCO | sample_1 | isotropic | sample_conditions_1 |
| 3D NCACB | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C INEPT | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4.2 - chemical shift assignment, peak picking
TOPSPIN v3.5 - collection, processing
NMR spectrometers:
- Bruker AVANCE III 700 MHz