BMRB Entry 19257

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19257

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Title:
1H, 13C, and 15N chemical shift assignments for alpha-synuclein in living E. coli cells
Deposition date:
2013-05-22
Original release date:
2014-02-13
Authors:
Waudby, Christopher; Camilloni, Carlo; Fitzpatrick, Anthony; Cabrita, Lisa; Dobson, Christopher; Vendruscolo, Michele; Christodoulou, John
Citation:

Citation: Waudby, Christopher; Camilloni, Carlo; Fitzpatrick, Anthony; Cabrita, Lisa; Dobson, Christopher; Vendruscolo, Michele; Christodoulou, John. "In-cell NMR characterization of the secondary structure populations of a disordered conformation of -synuclein within E. coli cells."  PLoS ONE 8, e72286-e72286 (2013).
PubMed: 23991082

Assembly members:

Assembly members:
Alpha-synuclein, polymer, 140 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pT7-7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Alpha-synuclein: MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA

Data sets:
Data typeCount
13C chemical shifts245
15N chemical shifts114
1H chemical shifts114

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   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-13C; U-15N], 1.7 ± 0.3 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.2; pressure: 1 atm; temperature: 277 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
1D 15N-XSTEsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

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

CCPN_Analysis, CCPN - chemical shift assignment, peak picking

MATLAB vR2011b, (MATLAB) The MathWorks Inc. - processing

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP P37840
BMRB 16300 16302 16342 16543 16546 16547 16548 16904 16939 17214 17498 17648 17649 17654 17665 17910 18207 18208 18243 18857 18860 19337 19338 19344 19345 19350 19351 25227 25228
PDB
DBJ BAB29375 BAF82858 BAG73790
EMBL CAG33339 CAG46454
GB AAA16117 AAC02114 AAG30302 AAH13293 AAI08276
REF NP_000336 NP_001009158 NP_001032222 NP_001129014 NP_001139526
SP P37840 P61139 P61140 P61142 P61143
AlphaFold Q6IAU6 P37840 P61139 P61140 P61142 P61143

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