BMRB Entry 51121
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51121
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Title: Single residue switches of aggregation in the N-terminal 'master controller' region of alpha-synuclein PubMed: 32157247
Deposition date: 2021-10-01 Original release date: 2022-07-28
Authors: Ulamec, Sabine; Maya-Martinez, Roberto; Radford, Sheena; Brockwell, David
Citation: Doherty, Ciaran; Ulamec, Sabine; Maya-Martinez, Roberto; Good, Sarah; Makepeace, Jemma; Khan, G Nasir; van Oosten-Hawle, Patricija; Radford, Sheena; Brockwell, David. "A short motif in the N-terminal region of a-synuclein is critical for both aggregation and function." Nat. Struct. Mol. Biol. 27, 249-259 (2020).
Assembly members:
entity_1, polymer, 133 residues, 13784.37 Da.
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: pET23a
Entity Sequences (FASTA):
entity_1: MDVFMKGLSKAKEGVVAAAE
KTKQGVAEAAGKTKEKTKEG
VVHGVATVAEKTKEQVTNVG
GAVVTGVTAVAQKTVEGAGS
IAAATGFVKKDQLGKNEEGA
PQEGILEDMPVDPDNEAYEM
PSEEGYQDYEPEA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 380 |
| 15N chemical shifts | 129 |
| 1H chemical shifts | 126 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Human alpha-Synuclein | 1 |
Entities:
Entity 1, Human alpha-Synuclein 133 residues - 13784.37 Da.
D36-42 (P1)
| 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 | LYS | THR | LYS | GLU | GLY | ||||
| 5 | VAL | VAL | HIS | GLY | VAL | ALA | THR | VAL | ALA | GLU | ||||
| 6 | LYS | THR | LYS | GLU | GLN | VAL | THR | ASN | VAL | GLY | ||||
| 7 | GLY | ALA | VAL | VAL | THR | GLY | VAL | THR | ALA | VAL | ||||
| 8 | ALA | GLN | LYS | THR | VAL | GLU | GLY | ALA | GLY | SER | ||||
| 9 | ILE | ALA | ALA | ALA | THR | GLY | PHE | VAL | LYS | LYS | ||||
| 10 | ASP | GLN | LEU | GLY | LYS | ASN | GLU | GLU | GLY | ALA | ||||
| 11 | PRO | GLN | GLU | GLY | ILE | LEU | GLU | ASP | MET | PRO | ||||
| 12 | VAL | ASP | PRO | ASP | ASN | GLU | ALA | TYR | GLU | MET | ||||
| 13 | PRO | SER | GLU | GLU | GLY | TYR | GLN | ASP | TYR | GLU | ||||
| 14 | PRO | GLU | ALA |
Samples:
sample_1: Human alpha-Synuclein (D36-42), [U-13C; U-15N], 200 uM; sodium chloride 20 mM; Tris-HCl 20 mM; Sodium Azide 0.02%
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 288.15 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 HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D hN(CA)NNH | sample_1 | isotropic | sample_conditions_1 |
| 3D hN(COCA)NNH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNN-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe vX - processing
TOPSPIN v3.5 - collection
CCPN/Analysis vv.2.4.2 - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Ascend Aeon 950 MHz MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts