BMRB Entry 51121

Name: Single residue switches of aggregation in the N-terminal &#039;master controller&#039; region of alpha-synuclein
Published: 2022-07-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51121

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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:

Single residue switches of aggregation in the N-terminal 'master controller' region of alpha-synuclein

Deposition date:

2021-10-01

Original release date:

2022-07-28

Authors:

Ulamec, Sabine; Maya-Martinez, Roberto; Radford, Sheena; Brockwell, David

Citation:

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).
PubMed: 32157247

Assembly members:

Assembly members:
entity_1, polymer, 133 residues, 13784.37 Da.

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: pET23a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEKTKEG VVHGVATVAEKTKEQVTNVG GAVVTGVTAVAQKTVEGAGS IAAATGFVKKDQLGKNEEGA PQEGILEDMPVDPDNEAYEM PSEEGYQDYEPEA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	380
15N chemical shifts	129
1H chemical shifts	126

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

ALA

GLU

3

LYS

THR

LYS

GLN

GLY

VAL

ALA

GLU

ALA

4

GLY

LYS

THR

LYS

GLU

LYS

THR

LYS

GLU

GLY

5

VAL

HIS

GLY

VAL

ALA

THR

VAL

ALA

GLU

6

LYS

THR

LYS

GLU

GLN

VAL

THR

ASN

VAL

GLY

7

GLY

ALA

VAL

THR

GLY

VAL

THR

ALA

VAL

8

ALA

GLN

LYS

THR

VAL

GLU

GLY

ALA

GLY

SER

9

ILE

ALA

THR

GLY

PHE

VAL

LYS

10

ASP

GLN

LEU

GLY

LYS

ASN

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

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

NCBI	6622
UNP	P37840
PDB	2KKW 2N0A
AlphaFold	Q6IAU6