BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27797

Title: Chemical Shift Assignments for alpha-synuclein homogeneously modified with CEL

Deposition date: 2019-02-21 Original release date: 2020-07-24

Authors: Marino, Laura; Adrover, Miquel; Vilanova, Bartolom

Citation: Marino, Laura; Ramis, Rafael; Casasnovas, Rodrigo; Ortega-Castro, Joaquin; Vilanova, Bartolome; Frau, Juan; Adrover, Miquel. "Unravelling the effect of N(epsilon)-(carboxyethyl)lysine on the conformation, dynamics and aggregation propensity of alpha-synuclein"  Chem. Sci. 11, 3332-3344 (2020).

Assembly members:
aS_CEL, 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):
aS_CEL: MDVFMXGLSXAXEGVVAAAE XTXQGVAEAAGXTXEGVLYV GSXTXEGVVHGVATVAEXTX EQVTNVGGAVVTGVTAVAQX TVEGAGSIAAATGFVXXDQL GXNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA

Data sets:
Data typeCount
13C chemical shifts399
15N chemical shifts133
1H chemical shifts284

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1alpha-synuclein1

Entities:

Entity 1, alpha-synuclein 140 residues - Formula weight is not available

1   METASPVALPHEMETRF9GLYLEUSERRF9
2   ALARF9GLUGLYVALVALALAALAALAGLU
3   RF9THRRF9GLNGLYVALALAGLUALAALA
4   GLYRF9THRRF9GLUGLYVALLEUTYRVAL
5   GLYSERRF9THRRF9GLUGLYVALVALHIS
6   GLYVALALATHRVALALAGLURF9THRRF9
7   GLUGLNVALTHRASNVALGLYGLYALAVAL
8   VALTHRGLYVALTHRALAVALALAGLNRF9
9   THRVALGLUGLYALAGLYSERILEALAALA
10   ALATHRGLYPHEVALRF9RF9ASPGLNLEU
11   GLYRF9ASNGLUGLUGLYALAPROGLNGLU
12   GLYILELEUGLUASPMETPROVALASPPRO
13   ASPASNGLUALATYRGLUMETPROSERGLU
14   GLUGLYTYRGLNASPTYRGLUPROGLUALA

Samples:

sample_1: aS CEL, [U-99% 13C; U-99% 15N], 160 uM; sodium phosphate 20 mM; NaCl 150 mM

sample_conditions_1: ionic strength: 0.180 M; pH: 6.5; pressure: 1 atm; temperature: 285.5 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts