Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53372

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical shift assignments for the intrinsically disordered C-terminus of a-synuclein wild-type fibrils

Deposition date:

2025-09-23

Original release date:

2026-08-03

Authors:

Pacheco, Sayuri; Sathiavals Reselammal, Dhanya; Siemer, Ansgar

Citation:

Citation: Pacheco, Sayuri; Sathiavals Reselammal, Dhanya; Li, Shanlong; Zhang, Qingya; Velloor, Gauri; Chen, Jianhan; Siemer, Ansgar. "Phosphorylation of a-Synuclein Fibrils at S129 Changes DNAJB1 Binding as Probed by Solid-State NMR " JACS Au 6, 343-356 (2026).
PubMed: 41614174

Assembly members:

Assembly members:
entity_1, polymer, 140 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PRK172

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	51
15N chemical shifts	25
1H chemical shifts	65

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	a-synuclein	1

Entities:

Entity 1, 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 fibril, [U-100% 13C; U-100% 15N], 3.4 mg

sample_conditions_1: ionic strength: 0 M; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1
3D HNCA	sample_1	anisotropic	sample_conditions_1
3D HNCOCA	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HETCOR	sample_1	anisotropic	sample_conditions_1
2D 13C-13C TOCSY	sample_1	anisotropic	sample_conditions_1

Software:

VNMRj - collection

NMRPipe - processing

CARA - chemical shift assignment, data analysis

NMR spectrometers:

Agilent DD2 600 MHz MHz

BMRB Entry 53372