BMRB Entry 31068

Title:
STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE
Deposition date:
2023-01-05
Original release date:
2023-02-14
Authors:
Barclay, A.; Dhavale, D.; Borcik, C.; Rau, M.; Basore, K.; Milchberg, M.; Warmuth, O.; Kotzbauer, P.; Rienstra, C.
Citation:

Citation: Barclay, A.; Dhavale, D.; Borcik, C.; Milchberg, M.; Warmuth, O.; Kotzbauer, P.; Rienstra, C.. "STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE"  .

Assembly members:

Assembly members:
entity_1, polymer, 140 residues, 14476.108 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 BL21(DE3)   Vector: PET28A-AS

Data sets:
Data typeCount
13C chemical shifts190
15N chemical shifts47

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21
3unit_31
4unit_41
5unit_51
6unit_61
7unit_71
8unit_81
9unit_91
10unit_101

Entities:

Entity 1, unit_1 140 residues - 14476.108 Da.

1   METASPVALPHEMETLYSGLYLEUSERLYS
2   ALALYSGLUGLYVALVALALAALAALAGLU
3   LYSTHRLYSGLNGLYVALALAGLUALAALA
4   GLYLYSTHRLYSGLUGLYVALLEUTYRVAL
5   GLYSERLYSTHRLYSGLUGLYVALVALHIS
6   GLYVALALATHRVALALAGLULYSTHRLYS
7   GLUGLNVALTHRASNVALGLYGLYALAVAL
8   VALTHRGLYVALTHRALAVALALAGLNLYS
9   THRVALGLUGLYALAGLYSERILEALAALA
10   ALATHRGLYPHEVALLYSLYSASPGLNLEU
11   GLYLYSASNGLUGLUGLYALAPROGLNGLU
12   GLYILELEUGLUASPMETPROVALASPPRO
13   ASPASNGLUALATYRGLUMETPROSERGLU
14   GLUGLYTYRGLNASPTYRGLUPROGLUALA

Samples:

sample_1: ALPHA-SYNUCLEIN, [U-100% 13C; U-100% 15N], 66%

sample_2: ALPHA-SYNUCLEIN, [U-100% 2H; U-100% 13C; U-100% 15N], 66%

sample_3: ALPHA-SYNUCLEIN 80%; labelled ALPHA-SYNUCLEIN, [U-25% 2-13C GLYCEROL; U-100% 15N], 20%

sample_conditions_1: ionic strength: 100 mM; pH: 7.6; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D CC DARRsample_1isotropicsample_conditions_1
2D NCOsample_3isotropicsample_conditions_1
2D NCAsample_3isotropicsample_conditions_1
2D CC DARRsample_3isotropicsample_conditions_1
2D CC FPRFDRsample_2isotropicsample_conditions_1
2D CACO CTUC-COSYsample_2isotropicsample_conditions_1
4D HN[HH]NH RFDRsample_2isotropicsample_conditions_1
3D N[HH]NH RFDRsample_2isotropicsample_conditions_1
3D CA[HH]NH RFDRsample_2isotropicsample_conditions_1
3D CAN[H]H RFDRsample_2isotropicsample_conditions_1
3D CO[CA]NH RFDRsample_2isotropicsample_conditions_1
3D CA[CO]NH RFDRsample_2isotropicsample_conditions_1
3D CONHsample_2isotropicsample_conditions_1
3D CANHsample_2isotropicsample_conditions_1
1D C FSREDORsample_1isotropicsample_conditions_1
3D NCACX PARsample_1isotropicsample_conditions_1
3D CCC RFDR THEN PARsample_1isotropicsample_conditions_1
2D CC PARsample_1isotropicsample_conditions_1
3D CANCOsample_1isotropicsample_conditions_1
3D NCOCA SPC5sample_1isotropicsample_conditions_1
3D NCOCX DARRsample_1isotropicsample_conditions_1
3D NCACX DARRsample_1isotropicsample_conditions_1
2D NCOsample_1isotropicsample_conditions_1
2D NCAsample_1isotropicsample_conditions_1
2D CC DARRsample_1isotropicsample_conditions_1
3D CANCOsample_1isotropicsample_conditions_1
3D NCOCX DARRsample_1isotropicsample_conditions_1
3D NCACX DARRsample_1isotropicsample_conditions_1
2D CC SPC7sample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMRFAM-SPARKY, LEE, TONELLI and MARKLEY, LEE, TONELLI, and MARKLEY - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMR spectrometers:

  • Agilent VNMRS 750 MHz
  • Agilent VNMRS 500 MHz