BMRB Entry 16342
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16342
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Title: Backbone 1H, 13C, 15N and 13C-beta Chemical Shift Assignments for alpha-synuclein at pH 3 PubMed: 19554627
Deposition date: 2009-06-09 Original release date: 2009-07-06
Authors: Cho, Min-Kyu; Kim, Hai-Young; Zweckstetter, Markus
Citation: Cho, Min-Kyu; Nodet, Gabrielle; Kim, Hai-Young; Jensen, Malene; Bernado, Pau; Fernandez, Claudio; Becker, Stefan; Blackledge, Martin; Zweckstetter, Markus. "Structural characterization of alpha-synuclein in an aggregation prone state" Protein Sci. 18, 1840-1846 (2009).
Assembly members:
human_a-synuclein, 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
Entity Sequences (FASTA):
human_a-synuclein: MDVFMKGLSKAKEGVVAAAE
KTKQGVAEAAGKTKEGVLYV
GSKTKEGVVHGVATVAEKTK
EQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQL
GKNEEGAPQEGILEDMPVDP
DNEAYEMPSEEGYQDYEPEA
- assigned_chemical_shifts
- heteronucl_NOEs
- RDCs
Data type | Count |
13C chemical shifts | 210 |
15N chemical shifts | 130 |
1H chemical shifts | 130 |
heteronuclear NOE values | 128 |
residual dipolar couplings | 117 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | human a-synuclein | 1 |
Entities:
Entity 1, human a-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: a-synuclein, [U-13C; U-15N], 300 uM; sodium chloride 100 mM; sodium acetate 20 mM; H2O 90%; D2O 10%
pH3: ionic strength: 0.28 M; pH: 3.0; pressure: 1 atm; temperature: 288 K
pH3_anisotropic: ionic strength: 0.28 M; pH: 3.0; pressure: 1 atm; temperature: 288 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | pH3 |
3D CBCA(CO)NH | sample_1 | isotropic | pH3 |
3D HNCACB | sample_1 | isotropic | pH3 |
2D Heteronuclear NOE | sample_1 | isotropic | pH3 |
2D IPAP 1H-15N HSQC | sample_1 | anisotropic | pH3_anisotropic |
2D 1H-15N R1rho | sample_1 | isotropic | pH3 |
2D 1H-15N R2 | sample_1 | isotropic | pH3 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN v2.1, Bruker Biospin - collection
SPARKY v3.110, Goddard - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
Related Database Links:
BMRB | 16300 16302 16543 16546 16547 16548 16904 16939 17214 17498 17648 17649 17654 17665 17910 18207 18208 18243 18857 18860 19257 19337 19338 19344 19345 19350 19351 25227 25228 |
PDB | |
DBJ | BAB29375 BAF82858 BAG73790 |
EMBL | CAG33339 CAG46454 |
GB | AAA16117 AAC02114 AAG30302 AAH13293 AAI08276 |
REF | NP_000336 NP_001009158 NP_001032222 NP_001129014 NP_001139526 |
SP | P37840 P61139 P61140 P61142 P61143 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts