BMRB: 31068

STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE

Authors

Barclay, A.M., Dhavale, D.D., Borcik, C.G., Rau, M.J., Basore, K., Milchberg, M.H., Warmuth, O.A., Kotzbauer, P.T., 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

solid-state NMR

Data set

assigned_chemical_shifts

Chemical Shifts 1

¹³C: 10, ¹⁵N: 2 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
226	1	76	ALA	C	C	174.682	0.065	1
227	1	76	ALA	CA	C	49.627	0.060	1
228	1	76	ALA	CB	C	20.316	0.063	1
229	1	76	ALA	N	N	131.095	0.247	1
230	1	77	VAL	CB	C	36.376	0.000	1
231	1	77	VAL	CG1	C	24.498	0.012	1
232	1	78	ALA	CA	C	50.123	0.072	1
233	1	78	ALA	N	N	128.806	0.000	1
234	1	87	SER	C	C	174.484	0.100	1
235	1	87	SER	CA	C	55.385	0.088	1
236	1	87	SER	CB	C	66.738	0.138	1
237	1	94	PHE	CG	C	129.251	0.098	1

Chemical Shifts 2

¹³C: 180, ¹⁵N: 45 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	35	GLU	C	C	176.221	0.118	1
2	1	35	GLU	CA	C	53.370	0.098	1
3	1	35	GLU	CB	C	35.740	0.123	1
4	1	35	GLU	CG	C	35.544	0.044	1
5	1	35	GLU	CD	C	183.276	0.105	1
6	1	35	GLU	N	N	122.120	0.250	1
7	1	36	GLY	C	C	173.845	0.087	1
8	1	36	GLY	CA	C	48.331	0.082	1
9	1	36	GLY	N	N	117.538	0.144	1
10	1	37	VAL	C	C	172.500	0.083	1
11	1	37	VAL	CA	C	59.963	0.101	1
12	1	37	VAL	CB	C	35.796	0.114	1
13	1	37	VAL	CG1	C	24.171	0.185	1
14	1	37	VAL	CG2	C	22.258	0.111	1
15	1	37	VAL	N	N	118.582	0.200	1
16	1	38	LEU	C	C	173.820	0.127	1
17	1	38	LEU	CA	C	52.471	0.089	1
18	1	38	LEU	CB	C	47.255	0.071	1
19	1	38	LEU	CG	C	27.580	0.085	1
20	1	38	LEU	CD1	C	25.316	0.133	1
21	1	38	LEU	CD2	C	29.074	0.102	1
22	1	38	LEU	N	N	127.846	0.291	1
23	1	39	TYR	C	C	173.757	0.146	1
24	1	39	TYR	CA	C	56.343	0.144	1
25	1	39	TYR	CB	C	43.444	0.130	1
26	1	39	TYR	CG	C	127.911	0.126	1
27	1	39	TYR	CD1	C	132.785	0.143	1
28	1	39	TYR	CD2	C	132.370	0.071	1
29	1	39	TYR	CE1	C	117.537	0.157	1
30	1	39	TYR	CE2	C	117.214	0.146	1
31	1	39	TYR	CZ	C	157.305	0.164	1
32	1	39	TYR	N	N	131.561	0.463	1
33	1	40	VAL	C	C	173.541	0.073	1
34	1	40	VAL	CA	C	59.899	0.111	1
35	1	40	VAL	CB	C	34.440	0.105	1
36	1	40	VAL	CG1	C	21.861	0.128	1
37	1	40	VAL	CG2	C	19.979	0.133	1
38	1	40	VAL	N	N	127.073	0.196	1
39	1	41	GLY	C	C	170.305	0.117	1
40	1	41	GLY	CA	C	44.612	0.101	1
41	1	41	GLY	N	N	111.638	0.133	1
42	1	42	SER	C	C	175.523	0.100	1
43	1	42	SER	CA	C	56.398	0.099	1
44	1	42	SER	CB	C	68.652	0.105	1
45	1	42	SER	N	N	116.816	0.121	1
46	1	43	LYS	C	C	176.688	0.122	1
47	1	43	LYS	CA	C	56.559	0.096	1
48	1	43	LYS	N	N	123.835	0.230	1
49	1	49	VAL	CA	C	60.527	0.153	1
50	1	49	VAL	CG1	C	22.247	0.203	1
51	1	49	VAL	CG2	C	21.486	0.089	1
52	1	50	HIS	C	C	175.842	0.116	1
53	1	50	HIS	CA	C	51.588	0.122	1
54	1	50	HIS	CB	C	31.558	0.161	1
55	1	50	HIS	CG	C	129.299	0.132	1
56	1	50	HIS	CD2	C	125.011	0.134	1
57	1	50	HIS	CE1	C	140.236	0.109	1
58	1	62	GLN	CA	C	54.468	0.016	1
59	1	62	GLN	CB	C	27.133	0.357	1
60	1	62	GLN	CG	C	35.886	0.000	1
61	1	62	GLN	CD	C	177.561	0.099	1
62	1	62	GLN	NE2	N	111.035	0.08	1
63	1	63	VAL	C	C	173.895	0.089	1
64	1	63	VAL	CA	C	61.143	0.098	1
65	1	63	VAL	CB	C	35.541	0.056	1
66	1	63	VAL	CG1	C	21.035	0.009	1
67	1	63	VAL	N	N	124.716	0.159	1
68	1	64	THR	C	C	172.140	0.103	1
69	1	64	THR	CA	C	60.854	0.109	1
70	1	64	THR	CB	C	68.591	0.105	1
71	1	64	THR	CG2	C	23.435	0.118	1
72	1	64	THR	N	N	124.871	0.170	1
73	1	65	ASN	C	C	173.034	0.231	1
74	1	65	ASN	CA	C	51.747	0.078	1
75	1	65	ASN	CB	C	41.874	0.095	1
76	1	65	ASN	CG	C	174.569	0.100	1
77	1	65	ASN	N	N	126.479	0.132	1
78	1	65	ASN	ND2	N	113.773	0.220	1
79	1	66	VAL	C	C	177.102	0.112	1
80	1	66	VAL	CA	C	59.782	0.091	1
81	1	66	VAL	CB	C	34.549	0.104	1
82	1	66	VAL	CG1	C	22.574	0.172	1
83	1	66	VAL	CG2	C	20.934	0.118	1
84	1	66	VAL	N	N	124.982	0.247	1
85	1	67	GLY	C	C	171.885	0.131	1
86	1	67	GLY	CA	C	47.320	0.090	1
87	1	67	GLY	N	N	112.539	0.126	1
88	1	68	GLY	C	C	172.347	0.096	1
89	1	68	GLY	CA	C	44.250	0.087	1
90	1	68	GLY	N	N	100.687	0.166	1
91	1	69	ALA	C	C	175.256	0.131	1
92	1	69	ALA	CA	C	49.940	0.083	1
93	1	69	ALA	CB	C	22.178	0.081	1
94	1	69	ALA	N	N	121.718	0.152	1
95	1	70	VAL	C	C	175.783	0.112	1
96	1	70	VAL	CA	C	61.576	0.067	1
97	1	70	VAL	CB	C	32.760	0.075	1
98	1	70	VAL	CG1	C	21.178	0.069	1
99	1	70	VAL	CG2	C	19.756	0.067	1
100	1	70	VAL	N	N	124.444	0.137	1
101	1	71	VAL	C	C	174.040	0.085	1
102	1	71	VAL	CA	C	61.252	0.089	1
103	1	71	VAL	CB	C	34.742	0.099	1
104	1	71	VAL	CG1	C	22.106	0.076	1
105	1	71	VAL	CG2	C	19.753	0.068	1
106	1	71	VAL	N	N	131.001	0.112	1
107	1	72	THR	C	C	174.622	0.141	1
108	1	72	THR	CA	C	59.966	0.095	1
109	1	72	THR	CB	C	71.354	0.085	1
110	1	72	THR	CG2	C	22.639	0.123	1
111	1	72	THR	N	N	124.675	0.086	1
112	1	73	GLY	C	C	172.252	0.070	1
113	1	73	GLY	CA	C	48.883	0.079	1
114	1	73	GLY	N	N	117.683	0.233	1
115	1	74	VAL	C	C	173.996	0.121	1
116	1	74	VAL	CA	C	59.306	0.106	1
117	1	74	VAL	CB	C	37.421	0.075	1
118	1	74	VAL	CG1	C	23.346	0.070	1
119	1	74	VAL	CG2	C	20.318	0.061	1
120	1	74	VAL	N	N	117.545	0.100	1
121	1	75	THR	C	C	171.904	0.150	1
122	1	75	THR	CA	C	61.440	0.089	1
123	1	75	THR	CB	C	68.801	0.086	1
124	1	75	THR	CG2	C	22.950	0.113	1
125	1	75	THR	N	N	123.228	0.197	1
126	1	76	ALA	C	C	174.035	0.07	1
127	1	76	ALA	CA	C	49.854	0.17	1
128	1	76	ALA	CB	C	20.223	0.08	1
129	1	76	ALA	N	N	131.319	0.00	1
130	1	77	VAL	C	C	172.336	0.078	1
131	1	77	VAL	CA	C	60.508	0.130	1
132	1	77	VAL	CB	C	36.740	0.091	1
133	1	77	VAL	CG1	C	20.914	0.642	1
134	1	77	VAL	CG2	C	25.084	0.555	1
135	1	77	VAL	N	N	122.393	0.193	1
136	1	78	ALA	C	C	175.735	0.129	1
137	1	78	ALA	CA	C	50.523	0.101	1
138	1	78	ALA	CB	C	23.065	0.122	1
139	1	78	ALA	N	N	130.236	0.121	1
140	1	79	GLN	C	C	174.048	0.086	1
141	1	79	GLN	CA	C	54.450	0.117	1
142	1	79	GLN	CB	C	37.584	0.123	1
143	1	79	GLN	CG	C	34.469	0.090	1
144	1	79	GLN	CD	C	179.410	0.110	1
145	1	79	GLN	N	N	122.515	0.171	1
146	1	79	GLN	NE2	N	112.308	0.285	1
147	1	80	LYS	C	C	174.004	0.094	1
148	1	80	LYS	CA	C	54.668	0.135	1
149	1	80	LYS	CB	C	35.459	0.120	1
150	1	80	LYS	CG	C	25.853	0.133	1
151	1	80	LYS	CD	C	26.572	0.186	1
152	1	80	LYS	CE	C	42.597	0.175	1
153	1	80	LYS	N	N	126.460	0.137	1
154	1	81	THR	C	C	173.072	0.092	1
155	1	81	THR	CA	C	61.791	0.102	1
156	1	81	THR	CB	C	69.897	0.143	1
157	1	81	THR	CG2	C	21.004	0.058	1
158	1	81	THR	N	N	124.608	0.072	1
159	1	82	VAL	C	C	175.221	0.074	1
160	1	82	VAL	CA	C	59.983	0.069	1
161	1	82	VAL	CB	C	35.106	0.053	1
162	1	82	VAL	N	N	126.637	0.000	1
163	1	83	GLU	CA	C	54.977	0.096	1
164	1	83	GLU	CB	C	34.204	0.066	1
165	1	83	GLU	CD	C	183.825	0.103	1
166	1	83	GLU	N	N	118.327	0.097	1
167	1	84	GLY	C	C	174.918	0.08	1
168	1	85	ALA	C	C	174.772	0.144	1
169	1	85	ALA	CA	C	49.801	0.117	1
170	1	85	ALA	CB	C	22.205	0.101	1
171	1	85	ALA	N	N	124.632	0.185	1
172	1	86	GLY	C	C	171.498	0.063	1
173	1	86	GLY	CA	C	44.246	0.099	1
174	1	86	GLY	N	N	109.949	0.150	1
175	1	87	SER	C	C	174.484	0.100	1
176	1	87	SER	CA	C	56.289	0.257	1
177	1	87	SER	CB	C	67.225	0.116	1
178	1	87	SER	N	N	119.420	0.270	1
179	1	88	ILE	C	C	172.950	0.136	1
180	1	88	ILE	CA	C	59.940	0.091	1
181	1	88	ILE	CB	C	44.401	0.117	1
182	1	88	ILE	CG1	C	27.737	0.109	1
183	1	88	ILE	CG2	C	17.606	0.101	1
184	1	88	ILE	CD1	C	16.865	0.093	1
185	1	88	ILE	N	N	121.856	0.000	1
186	1	89	ALA	C	C	174.597	0.109	1
187	1	89	ALA	CA	C	50.146	0.103	1
188	1	89	ALA	CB	C	21.388	0.141	1
189	1	89	ALA	N	N	129.087	0.096	1
190	1	90	ALA	C	C	174.187	0.062	1
191	1	90	ALA	CA	C	49.589	0.115	1
192	1	90	ALA	CB	C	22.352	0.092	1
193	1	90	ALA	N	N	126.169	0.151	1
194	1	91	ALA	C	C	175.327	0.075	1
195	1	91	ALA	CA	C	50.418	0.123	1
196	1	91	ALA	CB	C	23.268	0.188	1
197	1	91	ALA	N	N	123.372	0.216	1
198	1	92	THR	C	C	173.349	0.090	1
199	1	92	THR	CA	C	61.244	0.089	1
200	1	92	THR	CB	C	70.756	0.126	1
201	1	92	THR	CG2	C	20.763	0.093	1
202	1	92	THR	N	N	116.977	0.126	1
203	1	93	GLY	C	C	170.283	0.143	1
204	1	93	GLY	CA	C	44.975	0.125	1
205	1	93	GLY	N	N	113.870	0.36	1
206	1	94	PHE	C	C	172.815	0.091	1
207	1	94	PHE	CA	C	56.806	0.128	1
208	1	94	PHE	CB	C	43.436	0.117	1
209	1	94	PHE	CG	C	137.272	0.194	1
210	1	94	PHE	CD1	C	131.274	0.115	1
211	1	94	PHE	CD2	C	131.309	0.124	1
212	1	94	PHE	CE1	C	129.399	0.05	1
213	1	94	PHE	N	N	129.175	0.159	1
214	1	95	VAL	C	C	172.856	0.118	1
215	1	95	VAL	CA	C	60.622	0.125	1
216	1	95	VAL	CB	C	35.465	0.120	1
217	1	95	VAL	CG1	C	20.704	0.082	1
218	1	95	VAL	CG2	C	21.099	0.127	1
219	1	95	VAL	N	N	128.475	0.207	1
220	1	96	LYS	C	C	175.031	0.076	1
221	1	96	LYS	CA	C	54.458	0.120	1
222	1	96	LYS	CG	C	25.678	0.105	1
223	1	96	LYS	CD	C	30.712	0.033	1
224	1	96	LYS	CE	C	41.987	0.094	1
225	1	96	LYS	N	N	128.973	0.177	1

Release date

2023-02-06

Citation

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

Related entities 1. Alpha-synuclein, : 1 : 119 : 4 : 11 : 17 entities Detail

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

Experiments performed 29 experiments Detail

Chemical shift validation 4 contents Detail