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BMRB: 25518

2N0A

Atomic-resolution structure of alpha-synuclein fibrils

Authors

Tuttle, M.D., Comellas, G., Nieuwkoop, A.J., Covell, D.J., Berthold, D.A., Kloepper, K.D., Courtney, J.M., Kim, J.K., Schwieters, C.D., Lee, V.MY., George, J.M., Rienstra, C.M.

Assembly

Alpha-Synuclein

Entity

1. Alpha-Synuclein (polymer, Thiol state: not present), 140 monomers, 14459.97 × 10 Da Detail

MDVFMKGLSK AKEGVVAAAE KTKQGVAEAA GKTKEGVLYV GSKTKEGVVH GVATVAEKTK EQVTNVGGAV VTGVTAVAQK TVEGAGSIAA ATGFVKKDQL GKNEEGAPQE GILEDMPVDP DNEAYEMPSE EGYQDYEPEA

Total weight

144599.7 Da

Max. entity weight

14459.97 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 36.4 %, Completeness: 27.4 %, Completeness (bb): 32.2 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	27.4 % (199 of 727)	26.4 % (154 of 583)	31.3 % (45 of 144)
Backbone	32.2 % (173 of 537)	32.1 % (129 of 402)	32.6 % (44 of 135)
Sidechain	19.9 % (62 of 312)	20.1 % (61 of 303)	11.1 % (1 of 9)
Aromatic	0.0 % (0 of 28)	0.0 % (0 of 28)
Methyl	35.4 % (28 of 79)	35.4 % (28 of 79)

1. alpha-synuclein

MDVFMKGLSK AKEGVVAAAE KTKQGVAEAA GKTKEGVLYV GSKTKEGVVH GVATVAEKTK EQVTNVGGAV VTGVTAVAQK TVEGAGSIAA ATGFVKKDQL GKNEEGAPQE GILEDMPVDP DNEAYEMPSE EGYQDYEPEA

Show sample condition

Sample #1

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
1	alpha-synuclein	[U-100% 13C; U-100% 15N]		66 % w/w
2	H2O	natural abundance		34 % w/w

Sample #2

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
3	alpha-synuclein	[U-100% 13C 1,3-Glycerol; U-100% 15N]		66 % w/w
4	H2O	natural abundance		34 % w/w

Sample #3

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
5	alpha-synuclein	[U-100% 13C 2-Glycerol; U-100% 15N]		66 % w/w
6	H2O	natural abundance		34 % w/w

Sample #4

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
7	alpha-synuclein	[U-25% 13C; U-25% 15N]		66 % w/w
8	H2O	natural abundance		34 % w/w

Sample #5

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
9	alpha-synuclein	[U-25% 13C 1,3-Glycerol; natural abundance N][natural abundance C13, U-50% N15]		66 % w/w
10	H2O	natural abundance		34 % w/w

Sample #6

Solvent system Rehydrated Fibril, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
11	alpha-synuclein	[U-25% 13C 2-Glycerol; natural abundance N][natural abundance C13, U-50% N15]		66 % w/w
12	H2O	natural abundance		34 % w/w

Sample #7

Solvent system Dry, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
13	Adamantane	natural abundance		90 % w/w
14	KBr	natural abundance		10 % w/w

Protein Blocks Logo

Calculated from 1 models in PDB: 2N0A, Strand ID: A, B, C, D, E, F, G, H, I, J Detail

Release date

2016-03-14

Citation

Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein
Tuttle, M.D., Comellas, G., Nieuwkoop, A.J., Covell, D.J., Berthold, D.A., Kloepper, K.D., Courtney, J.M., Kim, J.K., Barclay, A.M., Kendall, A., Wan, W., Stubbs, G., Schwieters, C.D., Lee, V.MY., George, J.M., Rienstra, C.M.
Nat. Struct. Mol. Biol. (2016), 23, 409-415, PubMed 27018801 , DOI 10.1038/nsmb.3194 , Abstract

Related entities 1. Alpha-Synuclein, : 1 : 108 : 4 : 18 : 20 entities Detail

Interaction partners 1. Alpha-Synuclein, : 48 interactors Detail

More details for 48 interactors identified by 24 citations

Experiments performed 21 experiments Detail

1 Cross Polarization C1D

Instrument

Agilent VNMRS - 750 MHz Wide-Bore Magnet, HCN Balun Probe

Sample

State solid, Solvent system Dry, Pressure 1 atm, pH 7

#	Name	Isotope labeling	Type	Concentration
13	Adamantane	natural abundance		90 % w/w
14	KBr	natural abundance		10 % w/w

2 3D NCACX