BMRB: 34800

Solution NMR Structure of Alpha-Synuclein 1-25 Peptide in 50% TFE.

Authors

Allen, S.G., Williams, C., Meade, R.M., Tang, T.M.S., Crump, M.P., Mason, J.M.

Assembly

Alpha-synuclein

Entity

1. Alpha-synuclein (polymer, Thiol state: not present), 27 monomers, 2648.126 Da Detail

XMDVFMKGLS KAKEGVVAAA EKTKQGX

Formula weight

2648.126 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 176, ¹³C: 77, ¹⁵N: 22 assignments Detail

Download

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ACE	H1	H	2.166	0.001	1
2	1	1	ACE	H2	H	2.166	0.001	1
3	1	1	ACE	H3	H	2.166	0.001	1
4	1	1	ACE	CH3	C	24.650	0.000	1
5	1	2	MET	H	H	8.310	0.006	1
6	1	2	MET	HA	H	4.468	0.002	1
7	1	2	MET	HB2	H	2.144	0.017	2
8	1	2	MET	HB3	H	2.116	0.019	2
9	1	2	MET	HG2	H	2.705	0.001	2
10	1	2	MET	HG3	H	2.641	0.003	2
11	1	2	MET	CA	C	57.905	0.000	1
12	1	2	MET	CB	C	32.808	0.008	1
13	1	2	MET	CG	C	32.626	0.027	1
14	1	2	MET	N	N	126.199	0.000	1
15	1	3	ASP	H	H	8.787	0.001	1
16	1	3	ASP	HA	H	4.378	0.002	1
17	1	3	ASP	HB2	H	2.744	0.003	2
18	1	3	ASP	HB3	H	2.688	0.003	2
19	1	3	ASP	CA	C	56.902	0.000	1
20	1	3	ASP	CB	C	40.072	0.062	1
21	1	3	ASP	N	N	117.785	0.000	1
22	1	4	VAL	H	H	7.613	0.002	1
23	1	4	VAL	HA	H	3.701	0.005	1
24	1	4	VAL	HB	H	2.165	0.013	1
25	1	4	VAL	HG11	H	1.012	0.005	2
26	1	4	VAL	HG12	H	1.012	0.005	2
27	1	4	VAL	HG13	H	1.012	0.005	2
28	1	4	VAL	HG21	H	0.935	0.003	2
29	1	4	VAL	HG22	H	0.935	0.003	2
30	1	4	VAL	HG23	H	0.935	0.003	2
31	1	4	VAL	CA	C	66.571	0.000	1
32	1	4	VAL	CB	C	32.157	0.000	1
33	1	4	VAL	CG1	C	21.926	0.000	2
34	1	4	VAL	CG2	C	21.066	0.000	2
35	1	4	VAL	N	N	120.884	0.000	1
36	1	5	PHE	H	H	7.950	0.001	1
37	1	5	PHE	HA	H	4.370	0.001	1
38	1	5	PHE	HB2	H	3.300	0.005	2
39	1	5	PHE	HB3	H	3.223	0.003	2
40	1	5	PHE	HD1	H	7.280	0.000	1
41	1	5	PHE	HD2	H	7.280	0.000	1
42	1	5	PHE	HE1	H	7.320	0.000	1
43	1	5	PHE	HE2	H	7.320	0.000	1
44	1	5	PHE	HZ	H	7.272	0.000	1
45	1	5	PHE	CA	C	61.415	0.000	1
46	1	5	PHE	CB	C	39.633	0.044	1
47	1	5	PHE	CD1	C	132.077	0.000	1
48	1	5	PHE	CD2	C	132.077	0.000	1
49	1	5	PHE	CE1	C	131.748	0.000	1
50	1	5	PHE	CE2	C	131.748	0.000	1
51	1	5	PHE	CZ	C	130.272	0.000	1
52	1	5	PHE	N	N	121.752	0.000	1
53	1	6	MET	H	H	8.496	0.002	1
54	1	6	MET	HA	H	4.259	0.005	1
55	1	6	MET	HB2	H	2.827	0.003	2
56	1	6	MET	HB3	H	2.748	0.002	2
57	1	6	MET	HG2	H	2.277	0.002	2
58	1	6	MET	HG3	H	2.142	0.003	2
59	1	6	MET	CA	C	58.439	0.000	1
60	1	6	MET	CB	C	33.052	0.040	1
61	1	6	MET	N	N	118.050	0.000	1
62	1	7	LYS	H	H	8.192	0.002	1
63	1	7	LYS	HA	H	4.104	0.006	1
64	1	7	LYS	HB2	H	1.987	0.012	1
65	1	7	LYS	HB3	H	1.987	0.012	1
66	1	7	LYS	HG2	H	1.485	0.007	1
67	1	7	LYS	HG3	H	1.485	0.007	1
68	1	7	LYS	HD2	H	1.714	0.005	1
69	1	7	LYS	HD3	H	1.714	0.005	1
70	1	7	LYS	HE2	H	2.981	0.002	1
71	1	7	LYS	HE3	H	2.981	0.002	1
72	1	7	LYS	CA	C	59.925	0.000	1
73	1	7	LYS	CB	C	32.806	0.000	1
74	1	7	LYS	CG	C	25.701	0.000	1
75	1	7	LYS	CD	C	29.683	0.000	1
76	1	8	GLY	H	H	8.218	0.001	1
77	1	8	GLY	HA2	H	3.884	0.020	2
78	1	8	GLY	HA3	H	3.888	0.023	2
79	1	8	GLY	CA	C	47.370	0.040	1
80	1	8	GLY	N	N	108.584	0.000	1
81	1	9	LEU	H	H	8.194	0.001	1
82	1	9	LEU	HA	H	4.142	0.010	1
83	1	9	LEU	HB2	H	1.628	0.005	2
84	1	9	LEU	HB3	H	1.628	0.005	2
85	1	9	LEU	HD11	H	0.874	0.008	2
86	1	9	LEU	HD12	H	0.874	0.008	2
87	1	9	LEU	HD13	H	0.874	0.008	2
88	1	9	LEU	HD21	H	0.874	0.008	2
89	1	9	LEU	HD22	H	0.874	0.008	2
90	1	9	LEU	HD23	H	0.874	0.008	2
91	1	9	LEU	CA	C	58.215	0.000	1
92	1	9	LEU	CB	C	42.484	0.000	1
93	1	9	LEU	CD1	C	23.818	0.000	2
94	1	9	LEU	CD2	C	24.472	0.000	2
95	1	9	LEU	N	N	118.775	0.000	1
96	1	10	SER	H	H	8.076	0.001	1
97	1	10	SER	HA	H	4.195	0.004	1
98	1	10	SER	HB2	H	4.106	0.004	2
99	1	10	SER	HB3	H	4.050	0.004	2
100	1	10	SER	CA	C	62.375	0.000	1
101	1	10	SER	CB	C	63.509	0.013	1
102	1	10	SER	N	N	114.724	0.000	1
103	1	11	LYS	H	H	7.878	0.006	1
104	1	11	LYS	HA	H	4.260	0.005	1
105	1	11	LYS	HB2	H	2.000	0.004	1
106	1	11	LYS	HB3	H	2.000	0.004	1
107	1	11	LYS	HG2	H	1.595	0.004	1
108	1	11	LYS	HG3	H	1.595	0.004	1
109	1	11	LYS	HD2	H	1.748	0.005	1
110	1	11	LYS	HD3	H	1.748	0.005	1
111	1	11	LYS	HE2	H	2.996	0.003	1
112	1	11	LYS	HE3	H	2.996	0.003	1
113	1	11	LYS	CA	C	58.459	0.000	1
114	1	11	LYS	CB	C	32.230	0.000	1
115	1	11	LYS	CG	C	24.773	0.000	1
116	1	11	LYS	CD	C	28.807	0.000	1
117	1	11	LYS	CE	C	42.643	0.000	1
118	1	11	LYS	N	N	122.370	0.000	1
119	1	12	ALA	H	H	8.117	0.001	1
120	1	12	ALA	HA	H	4.215	0.007	1
121	1	12	ALA	HB1	H	1.557	0.006	1
122	1	12	ALA	HB2	H	1.557	0.006	1
123	1	12	ALA	HB3	H	1.557	0.006	1
124	1	12	ALA	CA	C	55.508	0.000	1
125	1	12	ALA	CB	C	18.050	0.000	1
126	1	12	ALA	N	N	124.287	0.000	1
127	1	13	LYS	H	H	8.194	0.000	1
128	1	13	LYS	HA	H	4.055	0.004	1
129	1	13	LYS	HB2	H	1.980	0.006	1
130	1	13	LYS	HB3	H	1.980	0.006	1
131	1	13	LYS	HG2	H	1.632	0.011	1
132	1	13	LYS	HG3	H	1.632	0.011	1
133	1	13	LYS	HD2	H	1.724	0.013	2
134	1	13	LYS	HD3	H	1.493	0.000	2
135	1	13	LYS	HE2	H	2.969	0.012	1
136	1	13	LYS	HE3	H	2.969	0.012	1
137	1	13	LYS	CA	C	59.976	0.000	1
138	1	13	LYS	CB	C	32.425	0.000	1
139	1	13	LYS	CG	C	25.602	0.000	1
140	1	13	LYS	CD	C	29.879	0.000	1
141	1	13	LYS	CE	C	42.648	0.000	1
142	1	14	GLU	H	H	8.079	0.001	1
143	1	14	GLU	HA	H	4.016	0.002	1
144	1	14	GLU	HB2	H	2.239	0.002	2
145	1	14	GLU	HB3	H	2.193	0.003	2
146	1	14	GLU	HG2	H	2.544	0.005	2
147	1	14	GLU	HG3	H	2.339	0.001	2
148	1	14	GLU	CA	C	60.004	0.000	1
149	1	14	GLU	CB	C	30.084	0.000	1
150	1	14	GLU	CG	C	36.943	0.010	1
151	1	14	GLU	N	N	118.921	0.000	1
152	1	15	GLY	H	H	8.032	0.003	1
153	1	15	GLY	HA2	H	3.973	0.002	1
154	1	15	GLY	HA3	H	3.973	0.002	1
155	1	15	GLY	CA	C	47.281	0.000	1
156	1	15	GLY	N	N	106.627	0.000	1
157	1	16	VAL	H	H	7.868	0.002	1
158	1	16	VAL	HA	H	3.834	0.002	1
159	1	16	VAL	HB	H	2.302	0.000	1
160	1	16	VAL	HG11	H	1.113	0.007	2
161	1	16	VAL	HG12	H	1.113	0.007	2
162	1	16	VAL	HG13	H	1.113	0.007	2
163	1	16	VAL	HG21	H	1.012	0.006	2
164	1	16	VAL	HG22	H	1.012	0.006	2
165	1	16	VAL	HG23	H	1.012	0.006	2
166	1	16	VAL	CA	C	66.889	0.000	1
167	1	16	VAL	CG1	C	22.213	0.000	2
168	1	16	VAL	CG2	C	21.018	0.000	2
169	1	16	VAL	N	N	123.517	0.000	1
170	1	17	VAL	H	H	8.026	0.001	1
171	1	17	VAL	HA	H	3.698	0.001	1
172	1	17	VAL	HB	H	2.182	0.000	1
173	1	17	VAL	HG11	H	1.014	0.005	2
174	1	17	VAL	HG12	H	1.014	0.005	2
175	1	17	VAL	HG13	H	1.014	0.005	2
176	1	17	VAL	HG21	H	1.104	0.007	2
177	1	17	VAL	HG22	H	1.104	0.007	2
178	1	17	VAL	HG23	H	1.104	0.007	2
179	1	17	VAL	CA	C	66.971	0.000	1
180	1	17	VAL	CG1	C	21.372	0.000	2
181	1	17	VAL	CG2	C	22.614	0.000	2
182	1	18	ALA	H	H	8.155	0.001	1
183	1	18	ALA	HA	H	4.190	0.011	1
184	1	18	ALA	HB1	H	1.554	0.005	1
185	1	18	ALA	HB2	H	1.554	0.005	1
186	1	18	ALA	HB3	H	1.554	0.005	1
187	1	18	ALA	CA	C	55.565	0.000	1
188	1	18	ALA	CB	C	18.585	0.000	1
189	1	18	ALA	N	N	121.972	0.000	1
190	1	19	ALA	H	H	7.966	0.002	1
191	1	19	ALA	HA	H	4.170	0.002	1
192	1	19	ALA	HB1	H	1.575	0.009	1
193	1	19	ALA	HB2	H	1.575	0.009	1
194	1	19	ALA	HB3	H	1.575	0.009	1
195	1	19	ALA	CA	C	55.602	0.000	1
196	1	19	ALA	CB	C	18.302	0.000	1
197	1	19	ALA	N	N	121.136	0.000	1
198	1	20	ALA	H	H	8.456	0.004	1
199	1	20	ALA	HA	H	4.138	0.006	1
200	1	20	ALA	HB1	H	1.591	0.008	1
201	1	20	ALA	HB2	H	1.591	0.008	1
202	1	20	ALA	HB3	H	1.591	0.008	1
203	1	20	ALA	CA	C	55.514	0.000	1
204	1	20	ALA	CB	C	18.266	0.000	1
205	1	20	ALA	N	N	123.652	0.000	1
206	1	21	GLU	H	H	8.427	0.002	1
207	1	21	GLU	HA	H	4.127	0.000	1
208	1	21	GLU	HB2	H	2.165	0.001	2
209	1	21	GLU	HB3	H	2.218	0.009	2
210	1	21	GLU	HG2	H	2.410	0.002	1
211	1	21	GLU	HG3	H	2.410	0.002	1
212	1	21	GLU	CA	C	59.724	0.000	1
213	1	21	GLU	CB	C	30.072	0.010	1
214	1	21	GLU	CG	C	36.552	0.000	1
215	1	21	GLU	N	N	119.253	0.000	1
216	1	22	LYS	H	H	8.115	0.001	1
217	1	22	LYS	HA	H	4.178	0.002	1
218	1	22	LYS	HB2	H	2.023	0.005	1
219	1	22	LYS	HB3	H	2.023	0.005	1
220	1	22	LYS	HG2	H	1.619	0.006	1
221	1	22	LYS	HG3	H	1.619	0.006	1
222	1	22	LYS	HD2	H	1.743	0.003	1
223	1	22	LYS	HD3	H	1.743	0.003	1
224	1	22	LYS	HE2	H	3.018	0.000	1
225	1	22	LYS	HE3	H	3.018	0.000	1
226	1	22	LYS	CA	C	59.246	0.000	1
227	1	22	LYS	CB	C	32.814	0.000	1
228	1	22	LYS	CG	C	25.547	0.000	1
229	1	22	LYS	CD	C	29.170	0.000	1
230	1	23	THR	H	H	7.976	0.001	1
231	1	23	THR	HA	H	4.170	0.006	1
232	1	23	THR	HB	H	4.415	0.006	1
233	1	23	THR	HG21	H	1.333	0.004	1
234	1	23	THR	HG22	H	1.333	0.004	1
235	1	23	THR	HG23	H	1.333	0.004	1
236	1	23	THR	CA	C	65.232	0.000	1
237	1	23	THR	CB	C	69.911	0.000	1
238	1	23	THR	CG2	C	21.582	0.000	1
239	1	23	THR	N	N	113.154	0.000	1
240	1	24	LYS	H	H	7.846	0.004	1
241	1	24	LYS	HA	H	4.220	0.003	1
242	1	24	LYS	HB2	H	1.985	0.003	1
243	1	24	LYS	HB3	H	1.985	0.003	1
244	1	24	LYS	HG2	H	1.592	0.003	2
245	1	24	LYS	HG3	H	1.511	0.000	2
246	1	24	LYS	HD2	H	1.757	0.009	1
247	1	24	LYS	HD3	H	1.757	0.009	1
248	1	24	LYS	HE2	H	3.005	0.008	1
249	1	24	LYS	HE3	H	3.005	0.008	1
250	1	24	LYS	CA	C	58.490	0.000	1
251	1	24	LYS	CB	C	33.301	0.000	1
252	1	24	LYS	CG	C	25.367	0.000	1
253	1	24	LYS	CD	C	29.814	0.000	1
254	1	24	LYS	CE	C	42.650	0.000	1
255	1	24	LYS	N	N	122.414	0.000	1
256	1	25	GLN	H	H	8.025	0.001	1
257	1	25	GLN	HA	H	4.319	0.004	1
258	1	25	GLN	HB2	H	2.126	0.004	2
259	1	25	GLN	HB3	H	2.259	0.007	2
260	1	25	GLN	HG2	H	2.537	0.005	2
261	1	25	GLN	HG3	H	2.473	0.000	2
262	1	25	GLN	HE21	H	7.506	0.000	1
263	1	25	GLN	HE22	H	6.675	0.000	1
264	1	25	GLN	CA	C	57.098	0.000	1
265	1	25	GLN	CB	C	29.598	0.085	1
266	1	25	GLN	CG	C	34.466	0.016	1
267	1	25	GLN	NE2	N	111.362	0.010	1
268	1	26	GLY	H	H	8.101	0.002	1
269	1	26	GLY	HA2	H	3.967	0.002	1
270	1	26	GLY	HA3	H	3.967	0.002	1
271	1	26	GLY	CA	C	45.569	0.000	1
272	1	26	GLY	N	N	109.428	0.000	1
273	1	27	NH2	N	N	106.730	0.000	1
274	1	27	NH2	HN1	H	6.993	0.000	1
275	1	27	NH2	HN2	H	7.397	0.000	1

Release date

2023-04-24

Citation

The N-terminal domain of alpha-Synuclein modulates lipid induced aggregation via competitive inhibition
Meade, R.M., Allen, S.G., Williams, C., Tang, T.M.S., Crump, M.P., Mason, J.M.

Related entities 1. Alpha-synuclein, : 1 : 107 : 12 entities Detail

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

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail