BMRB Entry 16939
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16939
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Title: WT alpha-synuclein fibrils PubMed: 21718702
Deposition date: 2010-05-19 Original release date: 2011-07-07
Authors: Comellas, Gemma; Kloepper, Kathryn; Nieuwkoop, Andrew; Lemkau, Luisel; Ladror, Daniel; Ebisu, Reika; Woods, Wendy; Lipton, Andrew; George, Julia; Rienstra, Chad
Citation: Comellas, Gemma; Lemkau, Luisel; Nieuwkoop, Andrew; Kloepper, Kathryn; Ladror, Daniel; Ebisu, Reika; Woods, Wendy; Lipton, Andrew; George, Julia; Rienstra, Chad. "Structured Regions of alpha-Synuclein Fibrils Include the Early-Onset Parkinson's Disease Mutation Sites." J. Mol. Biol. 411, 881-895 (2011).
Assembly members:
WT_alpha-synuclein_fibrils, polymer, 140 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
WT_alpha-synuclein_fibrils: MDVFMKGKSKAKEGVVAAAE
KTKQGVAEAAGKTKEGVLYV
GSKTKEGVVHGVATVAEKTK
EQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQL
GKNEEGAPQEGILEDMPVDP
DNEAYEMPSEEGYQDYEPEA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 246 |
| 15N chemical shifts | 68 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | alpha synuclein protein | 1 |
Entities:
Entity 1, alpha synuclein protein 140 residues - Formula weight is not available
| 1 | MET | ASP | VAL | PHE | MET | LYS | GLY | LYS | 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:
U-13C_15N: WT alpha-synuclein fibrils, [U-13C; U-15N], mM; H2O 100%
2-glycerol_sample: WT alpha-synuclein fibrils, [2-glycerol] 13-C, U-15N, mM; H2O 100%
1_3-glycerol_sample: WT alpha-synuclein fibrils, [1,3-glycerol] 13C, U-15N, mM; H2O 100%
U-13C_15N_doubling_material: WT alpha-synuclein fibrils, [U-13C; U-15N], mM; H2O 100%
sample_conditions_1: pH: 7.5; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NCACX 50 ms DARR | U-13C_15N | isotropic | sample_conditions_1 |
| NCOCX 50 ms DARR | U-13C_15N | isotropic | sample_conditions_1 |
| NCOCX 250 ms DARR | U-13C_15N | isotropic | sample_conditions_1 |
| CANcoCX 50 ms DARR | U-13C_15N | isotropic | sample_conditions_1 |
| CONcaCX 10 ms DARR | U-13C_15N | isotropic | sample_conditions_1 |
| NCACX 250 ms DARR | 2-glycerol_sample | isotropic | sample_conditions_1 |
| NCOCX 250 ms DARR | 2-glycerol_sample | isotropic | sample_conditions_1 |
| NCOCX 250 ms DARR | 1_3-glycerol_sample | isotropic | sample_conditions_1 |
| CANCO | 2-glycerol_sample | isotropic | sample_conditions_1 |
| CANCO | 1_3-glycerol_sample | isotropic | sample_conditions_1 |
| NCACX 50 ms DARR | U-13C_15N_doubling_material | isotropic | sample_conditions_1 |
| NCOCX 50 ms DARR | U-13C_15N_doubling_material | isotropic | sample_conditions_1 |
| NCACX 500 ms DARR | 2-glycerol_sample | isotropic | sample_conditions_1 |
Software:
SPARKY v3.115, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian UnityPlus 500 MHz
- Varian UnityPlus 600 MHz
- Varian UnityPlus 600 MHz