BMRB Entry 18857

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18857

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Title:
Backbone 1H, 13C,and 15N chemical shift assignments for alpha-synuclein at different pH and temperature
Deposition date:
2012-11-25
Original release date:
2013-12-09
Authors:
Vandova, Gergana; Tamiola, Kamil; Oktaviani, Nur; Mulder, Frans
Citation:

Citation: Vandova, Gergana; Tamiola, Kamil; Oktaviani, Nur; Mulder, Frans. "Backbone 1H, 13C,and 15N chemical shift assignments for alpha-synuclein at different pH and temperature"  .

Assembly members:

Assembly members:
alpha_synuclein, polymer, 140 residues, Formula weight is not available

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: pet25

Entity Sequences (FASTA):

Entity Sequences (FASTA):
alpha_synuclein: MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA

Data sets:
Data typeCount
13C chemical shifts8441
15N chemical shifts4224
1H chemical shifts8849

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-100% 13C; U-100% 15N], 0.2 mM; DSS 0.05 mM; D2O 7%; H2O 93%; sodium azide 0.02%; potassium phosphate 10 mM; sodium phosphate 100 mM

pH_2.16: pH: 2.16; temperature: 283 K

pH_2.36: pH: 2.36; temperature: 283 K

pH_2.61: pH: 2.61; temperature: 283 K

pH_2.82: pH: 2.82; temperature: 283 K

pH_3.11: pH: 3.11; temperature: 283 K

pH_3.19: pH: 3.19; temperature: 283 K

pH_3.38: pH: 3.38; temperature: 283 K

pH_3.58: pH: 3.58; temperature: 283 K

pH_3.78: pH: 3.78; temperature: 283 K

pH_4.00: pH: 4.00; temperature: 283 K

pH_4.21: pH: 4.21; temperature: 283 K

pH_4.42: pH: 4.42; temperature: 283 K

pH_4.67: pH: 4.67; temperature: 283 K

pH_4.87: pH: 4.87; temperature: 283 K

pH_5.02: pH: 5.02; temperature: 283 K

pH_5.21: pH: 5.21; temperature: 283 K

pH_5.42: pH: 5.42; temperature: 283 K

pH_5.57: pH: 5.57; temperature: 283 K

pH_5.71: pH: 5.71; temperature: 283 K

pH_5.85: pH: 5.85; temperature: 283 K

pH_6.09: pH: 6.09; temperature: 283 K

pH_6.34: pH: 6.34; temperature: 283 K

pH_6.55: pH: 6.55; temperature: 283 K

pH_6.74: pH: 6.74; temperature: 283 K

pH_6.94: pH: 6.94; temperature: 283 K

pH_7.10: pH: 7.10; temperature: 283 K

pH_7.34: pH: 7.34; temperature: 283 K

pH_7.51: pH: 7.51; temperature: 283 K

temp_5: pH: 5.87; temperature: 278 K

temp_15: pH: 5.87; temperature: 288 K

temp_20: pH: 5.87; temperature: 293 K

temp_25: pH: 5.87; temperature: 298 K

temp_30: pH: 5.87; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicpH_2.16
2D 1H-13C HSQCsample_1isotropicpH_2.16
2D HA(CA)COsample_1isotropicpH_2.16
2D H(NCO)CAsample_1isotropicpH_2.16
2D H(N)COsample_1isotropicpH_2.16
2D 1H-15N HSQCsample_1isotropicpH_2.36
2D 1H-13C HSQCsample_1isotropicpH_2.36
2D HA(CA)COsample_1isotropicpH_2.36
2D H(NCO)CAsample_1isotropicpH_2.36
2D H(N)COsample_1isotropicpH_2.36
2D 1H-15N HSQCsample_1isotropicpH_2.61
2D 1H-13C HSQCsample_1isotropicpH_2.61
2D HA(CA)COsample_1isotropicpH_2.61
2D H(NCO)CAsample_1isotropicpH_2.61
2D H(N)COsample_1isotropicpH_2.61
2D 1H-15N HSQCsample_1isotropicpH_2.82
2D 1H-13C HSQCsample_1isotropicpH_2.82
2D HA(CA)COsample_1isotropicpH_2.82
2D H(NCO)CAsample_1isotropicpH_2.82
2D H(N)COsample_1isotropicpH_2.82
2D 1H-15N HSQCsample_1isotropicpH_3.11
2D 1H-13C HSQCsample_1isotropicpH_3.11
2D HA(CA)COsample_1isotropicpH_3.11
2D H(NCO)CAsample_1isotropicpH_3.11
2D H(N)COsample_1isotropicpH_3.11
2D 1H-15N HSQCsample_1isotropicpH_3.19
2D 1H-13C HSQCsample_1isotropicpH_3.19
2D HA(CA)COsample_1isotropicpH_3.19
2D H(NCO)CAsample_1isotropicpH_3.19
2D H(N)COsample_1isotropicpH_3.19
2D 1H-15N HSQCsample_1isotropicpH_3.38
2D 1H-13C HSQCsample_1isotropicpH_3.38
2D HA(CA)COsample_1isotropicpH_3.38
2D H(NCO)CAsample_1isotropicpH_3.38
2D H(N)COsample_1isotropicpH_3.38
2D 1H-15N HSQCsample_1isotropicpH_3.58
2D 1H-13C HSQCsample_1isotropicpH_3.58
2D HA(CA)COsample_1isotropicpH_3.58
2D H(NCO)CAsample_1isotropicpH_3.58
2D H(N)COsample_1isotropicpH_3.58
2D 1H-15N HSQCsample_1isotropicpH_3.78
2D 1H-13C HSQCsample_1isotropicpH_3.78
2D HA(CA)COsample_1isotropicpH_3.78
2D H(NCO)CAsample_1isotropicpH_3.78
2D H(N)COsample_1isotropicpH_3.78
2D 1H-15N HSQCsample_1isotropicpH_4.00
2D 1H-13C HSQCsample_1isotropicpH_4.00
2D HA(CA)COsample_1isotropicpH_4.00
2D H(NCO)CAsample_1isotropicpH_4.00
2D H(N)COsample_1isotropicpH_4.00
2D 1H-15N HSQCsample_1isotropicpH_4.21
2D 1H-13C HSQCsample_1isotropicpH_4.21
2D HA(CA)COsample_1isotropicpH_4.21
2D H(NCO)CAsample_1isotropicpH_4.21
2D H(N)COsample_1isotropicpH_4.21
2D 1H-15N HSQCsample_1isotropicpH_4.42
2D 1H-13C HSQCsample_1isotropicpH_4.42
2D HA(CA)COsample_1isotropicpH_4.42
2D H(NCO)CAsample_1isotropicpH_4.42
2D H(N)COsample_1isotropicpH_4.42
2D 1H-15N HSQCsample_1isotropicpH_4.67
2D 1H-13C HSQCsample_1isotropicpH_4.67
2D HA(CA)COsample_1isotropicpH_4.67
2D H(NCO)CAsample_1isotropicpH_4.67
2D H(N)COsample_1isotropicpH_4.67
2D 1H-15N HSQCsample_1isotropicpH_4.87
2D 1H-13C HSQCsample_1isotropicpH_4.87
2D HA(CA)COsample_1isotropicpH_4.87
2D H(NCO)CAsample_1isotropicpH_4.87
2D H(N)COsample_1isotropicpH_4.87
2D 1H-15N HSQCsample_1isotropicpH_5.02
2D 1H-13C HSQCsample_1isotropicpH_5.02
2D HA(CA)COsample_1isotropicpH_5.02
2D H(NCO)CAsample_1isotropicpH_5.02
2D H(N)COsample_1isotropicpH_5.02
2D 1H-15N HSQCsample_1isotropicpH_5.21
2D 1H-13C HSQCsample_1isotropicpH_5.21
2D HA(CA)COsample_1isotropicpH_5.21
2D H(NCO)CAsample_1isotropicpH_5.21
2D H(N)COsample_1isotropicpH_5.21
2D 1H-15N HSQCsample_1isotropicpH_5.42
2D 1H-13C HSQCsample_1isotropicpH_5.42
2D HA(CA)COsample_1isotropicpH_5.42
2D H(NCO)CAsample_1isotropicpH_5.42
2D H(N)COsample_1isotropicpH_5.42
2D 1H-15N HSQCsample_1isotropicpH_5.57
2D 1H-13C HSQCsample_1isotropicpH_5.57
2D HA(CA)COsample_1isotropicpH_5.57
2D H(NCO)CAsample_1isotropicpH_5.57
2D H(N)COsample_1isotropicpH_5.57
2D 1H-15N HSQCsample_1isotropicpH_5.71
2D 1H-13C HSQCsample_1isotropicpH_5.71
2D HA(CA)COsample_1isotropicpH_5.71
2D H(NCO)CAsample_1isotropicpH_5.71
2D H(N)COsample_1isotropicpH_5.71
2D 1H-15N HSQCsample_1isotropicpH_5.85
2D 1H-13C HSQCsample_1isotropicpH_5.85
2D HA(CA)COsample_1isotropicpH_5.85
2D H(NCO)CAsample_1isotropicpH_5.85
2D H(N)COsample_1isotropicpH_5.85
2D 1H-15N HSQCsample_1isotropicpH_6.09
2D 1H-13C HSQCsample_1isotropicpH_6.09
2D HA(CA)COsample_1isotropicpH_6.09
2D H(NCO)CAsample_1isotropicpH_6.09
2D H(N)COsample_1isotropicpH_6.09
2D 1H-15N HSQCsample_1isotropicpH_6.34
2D 1H-13C HSQCsample_1isotropicpH_6.34
2D H(NCO)CAsample_1isotropicpH_6.34
2D HA(CA)COsample_1isotropicpH_6.34
2D H(N)COsample_1isotropicpH_6.34
2D 1H-15N HSQCsample_1isotropicpH_6.55
2D 1H-13C HSQCsample_1isotropicpH_6.55
2D H(NCO)CAsample_1isotropicpH_6.55
2D HA(CA)COsample_1isotropicpH_6.55
2D H(N)COsample_1isotropicpH_6.55
2D 1H-15N HSQCsample_1isotropicpH_6.74
2D 1H-13C HSQCsample_1isotropicpH_6.74
2D H(NCO)CAsample_1isotropicpH_6.74
2D HA(CA)COsample_1isotropicpH_6.74
2D H(N)COsample_1isotropicpH_6.74
2D 1H-15N HSQCsample_1isotropicpH_6.94
2D 1H-13C HSQCsample_1isotropicpH_6.94
2D H(NCO)CAsample_1isotropicpH_6.94
2D HA(CA)COsample_1isotropicpH_6.94
2D H(N)COsample_1isotropicpH_6.94
2D 1H-15N HSQCsample_1isotropicpH_7.10
2D 1H-13C HSQCsample_1isotropicpH_7.10
2D HA(CA)COsample_1isotropicpH_7.10
2D H(NCO)CAsample_1isotropicpH_7.10
2D H(N)COsample_1isotropicpH_7.10
2D 1H-15N HSQCsample_1isotropicpH_7.34
2D 1H-13C HSQCsample_1isotropicpH_7.34
2D HA(CA)COsample_1isotropicpH_7.34
2D HN(CO)CAsample_1isotropicpH_7.34
2D H(N)COsample_1isotropicpH_7.34
2D 1H-15N HSQCsample_1isotropicpH_7.51
2D 1H-13C HSQCsample_1isotropicpH_7.51
2D H(NCO)CAsample_1isotropicpH_7.51
2D HA(CA)COsample_1isotropicpH_7.51
2D H(N)COsample_1isotropicpH_7.51
2D 1H-15N HSQCsample_1isotropictemp_5
2D 1H-13C HSQCsample_1isotropictemp_5
2D HA(CA)COsample_1isotropictemp_5
2D H(NCO)CAsample_1isotropictemp_5
2D H(N)COsample_1isotropictemp_5
2D 1H-15N HSQCsample_1isotropictemp_15
2D 1H-13C HSQCsample_1isotropictemp_15
2D H(NCO)CAsample_1isotropictemp_15
2D HA(CA)COsample_1isotropictemp_15
2D H(N)COsample_1isotropictemp_15
2D 1H-15N HSQCsample_1isotropictemp_20
2D 1H-13C HSQCsample_1isotropictemp_20
2D HA(CA)COsample_1isotropictemp_20
2D H(NCO)CAsample_1isotropictemp_20
2D H(N)COsample_1isotropictemp_20
2D 1H-15N HSQCsample_1isotropictemp_25
2D 1H-13C HSQCsample_1isotropictemp_25
2D HA(CA)COsample_1isotropictemp_25
2D H(NCO)CAsample_1isotropictemp_25
2D H(N)COsample_1isotropictemp_25
2D 1H-15N HSQCsample_1isotropictemp_30
2D 1H-13C HSQCsample_1isotropictemp_30
2D HA(CA)COsample_1isotropictemp_30
2D H(NCO)CAsample_1isotropictemp_30
2D H(N)COsample_1isotropictemp_30

Software:

VNMR, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard, Varian - chemical shift assignment, collection, processing

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16342 16300 16300 16302 16342 16543 16546 16547 16548 16904 16939 17214 17498 17648 17649 17654 17665 17910 18207 18208 18243 18860 19257 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 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