BMRB Entry 34801

Title:
Solution NMR Structure of Lactamised Alpha-Synuclein 2-12 Peptide in 50% TFE.
Deposition date:
2023-03-30
Original release date:
2024-07-01
Authors:
Allen, S.; Williams, C.; Meade, R.; Crump, M.; Mason, J.
Citation:

Citation: Meade, R.; Allen, S.; Williams, C.; Tang, T.; Crump, M.; Mason, J.. "The N-terminal domain of alpha-Synuclein modulates lipid induced aggregation via competitive inhibition"  .

Assembly members:

Assembly members:
entity_1, polymer, 13 residues, 1366.692 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XDVFMKKLSKDKX

Data sets:
Data typeCount
13C chemical shifts44
15N chemical shifts13
1H chemical shifts94

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 13 residues - 1366.692 Da.

1   ACEASPVALPHEMETLYSLYSLEUSERLYS
2   ASPLYSNH2

Samples:

sample_1: aSyn1-12 1 ± 0.2 mM; potassium phosphate 20 ± 0.2 mM; D2O, [U-99% 2H], 10 ± 0.2 % v/v; 2,2,2-Trifluoroethanol, [U-100% 2H], 50 ± 0.2 % v/v

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

DANGLE v1.1, Cheung MS, Maguire ML, Stevens TJ, Broadhurst RW. - data analysis

TopSpin v3.6.1, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks