BMRB: 34808

Solution NMR structure of Notch3 WT TMD

Authors

Guschtschin-Schmidt, N., Muhle-Goll, C.

Assembly

Notch 3 extracellular truncation

Entity

1. Notch 3 extracellular truncation (polymer, Thiol state: not present), 30 monomers, 3166.169 Da Detail

KKKPLLPLLV AGAVLLLVIL VLGVMVAKKK

Formula weight

3166.169 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 228, ¹³C: 111, ¹⁵N: 28 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	LYS	H	H	7.834
2	1	1	LYS	HA	H	4.295
3	1	1	LYS	HB2	H	1.757
4	1	1	LYS	HB3	H	1.844
5	1	1	LYS	HG2	H	1.473
6	1	1	LYS	HG3	H	1.519
7	1	1	LYS	HE2	H	3.014
8	1	1	LYS	CA	C	56.089
9	1	1	LYS	CB	C	32.454
10	1	1	LYS	CG	C	24.127
11	1	1	LYS	CE	C	41.617
12	1	1	LYS	N	N	125.645
13	1	2	LYS	H	H	7.972
14	1	2	LYS	HA	H	4.367
15	1	2	LYS	HB2	H	1.770
16	1	2	LYS	HB3	H	1.849
17	1	2	LYS	HG2	H	1.512
18	1	2	LYS	HG3	H	1.428
19	1	2	LYS	HE2	H	3.014
20	1	2	LYS	CA	C	55.566
21	1	2	LYS	CB	C	32.066
22	1	2	LYS	CG	C	24.149
23	1	2	LYS	CE	C	41.617
24	1	2	LYS	N	N	120.627
25	1	3	LYS	H	H	7.854
26	1	3	LYS	HA	H	4.620
27	1	3	LYS	HB2	H	1.786
28	1	3	LYS	HB3	H	1.834
29	1	3	LYS	HG2	H	1.473
30	1	3	LYS	HG3	H	1.550
31	1	3	LYS	HE2	H	3.014
32	1	3	LYS	CA	C	54.079
33	1	3	LYS	CB	C	32.398
34	1	3	LYS	CG	C	24.129
35	1	3	LYS	CE	C	41.617
36	1	3	LYS	N	N	121.422
37	1	4	PRO	HA	H	4.466
38	1	4	PRO	HB2	H	1.906
39	1	4	PRO	HB3	H	2.244
40	1	4	PRO	HG2	H	1.935
41	1	4	PRO	HG3	H	2.017
42	1	4	PRO	HD2	H	3.741
43	1	4	PRO	HD3	H	3.618
44	1	4	PRO	CA	C	62.629
45	1	4	PRO	CB	C	30.809
46	1	4	PRO	CG	C	31.727
47	1	4	PRO	CD	C	49.640
48	1	5	LEU	H	H	7.627
49	1	5	LEU	HA	H	4.446
50	1	5	LEU	HB2	H	1.682
51	1	5	LEU	HD11	H	0.967
52	1	5	LEU	HD12	H	0.967
53	1	5	LEU	HD13	H	0.967
54	1	5	LEU	HD21	H	0.906
55	1	5	LEU	HD22	H	0.906
56	1	5	LEU	HD23	H	0.906
57	1	5	LEU	CA	C	54.417
58	1	5	LEU	CB	C	41.968
59	1	5	LEU	CD1	C	23.449
60	1	5	LEU	CD2	C	23.024
61	1	5	LEU	N	N	119.485
62	1	6	LEU	H	H	7.589
63	1	6	LEU	HA	H	4.346
64	1	6	LEU	HB2	H	1.716
65	1	6	LEU	HD11	H	0.982
66	1	6	LEU	HD12	H	0.982
67	1	6	LEU	HD13	H	0.982
68	1	6	LEU	HD21	H	0.919
69	1	6	LEU	HD22	H	0.919
70	1	6	LEU	HD23	H	0.919
71	1	6	LEU	CA	C	57.916
72	1	6	LEU	CB	C	39.958
73	1	6	LEU	CD1	C	22.965
74	1	6	LEU	CD2	C	23.890
75	1	6	LEU	N	N	120.726
76	1	7	PRO	HA	H	4.251
77	1	7	PRO	HB2	H	1.798
78	1	7	PRO	HB3	H	2.349
79	1	7	PRO	HG2	H	1.960
80	1	7	PRO	HG3	H	2.084
81	1	7	PRO	HD2	H	3.592
82	1	7	PRO	HD3	H	3.724
83	1	7	PRO	CA	C	65.336
84	1	7	PRO	CB	C	30.329
85	1	7	PRO	CG	C	27.280
86	1	7	PRO	CD	C	49.232
87	1	8	LEU	H	H	7.212
88	1	8	LEU	HA	H	4.189
89	1	8	LEU	HB2	H	1.859
90	1	8	LEU	HG	H	1.687
91	1	8	LEU	HD11	H	0.968
92	1	8	LEU	HD12	H	0.968
93	1	8	LEU	HD13	H	0.968
94	1	8	LEU	HD21	H	0.893
95	1	8	LEU	HD22	H	0.893
96	1	8	LEU	HD23	H	0.893
97	1	8	LEU	CA	C	56.806
98	1	8	LEU	CB	C	41.226
99	1	8	LEU	CG	C	26.502
100	1	8	LEU	CD1	C	23.558
101	1	8	LEU	CD2	C	23.655
102	1	8	LEU	N	N	115.324
103	1	9	LEU	H	H	7.784
104	1	9	LEU	HA	H	4.180
105	1	9	LEU	HB2	H	1.636
106	1	9	LEU	HB3	H	1.940
107	1	9	LEU	HG	H	1.746
108	1	9	LEU	HD11	H	0.919
109	1	9	LEU	HD12	H	0.919
110	1	9	LEU	HD13	H	0.919
111	1	9	LEU	HD21	H	0.877
112	1	9	LEU	HD22	H	0.877
113	1	9	LEU	HD23	H	0.877
114	1	9	LEU	CA	C	57.004
115	1	9	LEU	CB	C	41.110
116	1	9	LEU	CG	C	26.333
117	1	9	LEU	CD1	C	23.890
118	1	9	LEU	CD2	C	21.720
119	1	9	LEU	N	N	119.995
120	1	10	VAL	H	H	7.997
121	1	10	VAL	HA	H	3.721
122	1	10	VAL	HB	H	2.088
123	1	10	VAL	HG11	H	0.940
124	1	10	VAL	HG12	H	0.940
125	1	10	VAL	HG13	H	0.940
126	1	10	VAL	HG21	H	1.007
127	1	10	VAL	HG22	H	1.007
128	1	10	VAL	HG23	H	1.007
129	1	10	VAL	CA	C	65.361
130	1	10	VAL	CB	C	31.343
131	1	10	VAL	CG1	C	19.841
132	1	10	VAL	CG2	C	20.896
133	1	10	VAL	N	N	118.609
134	1	11	ALA	H	H	7.917
135	1	11	ALA	HA	H	4.079
136	1	11	ALA	HB1	H	1.507
137	1	11	ALA	HB2	H	1.507
138	1	11	ALA	HB3	H	1.507
139	1	11	ALA	CA	C	54.515
140	1	11	ALA	CB	C	16.927
141	1	11	ALA	N	N	122.186
142	1	12	GLY	H	H	7.967
143	1	12	GLY	HA2	H	3.868
144	1	12	GLY	CA	C	46.057
145	1	12	GLY	N	N	102.898
146	1	13	ALA	H	H	7.805
147	1	13	ALA	HA	H	4.193
148	1	13	ALA	HB1	H	1.559
149	1	13	ALA	HB2	H	1.559
150	1	13	ALA	HB3	H	1.559
151	1	13	ALA	CA	C	54.300
152	1	13	ALA	CB	C	17.096
153	1	13	ALA	N	N	123.922
154	1	14	VAL	H	H	8.050
155	1	14	VAL	HA	H	3.710
156	1	14	VAL	HB	H	2.186
157	1	14	VAL	HG11	H	1.056
158	1	14	VAL	HG12	H	1.056
159	1	14	VAL	HG13	H	1.056
160	1	14	VAL	HG21	H	0.944
161	1	14	VAL	HG22	H	0.944
162	1	14	VAL	HG23	H	0.944
163	1	14	VAL	CA	C	65.684
164	1	14	VAL	CB	C	31.198
165	1	14	VAL	CG1	C	21.238
166	1	14	VAL	CG2	C	19.841
167	1	14	VAL	N	N	118.111
168	1	15	LEU	H	H	7.881
169	1	15	LEU	HA	H	4.087
170	1	15	LEU	HB2	H	1.756
171	1	15	LEU	HD11	H	0.944
172	1	15	LEU	HD12	H	0.944
173	1	15	LEU	HD13	H	0.944
174	1	15	LEU	HD21	H	0.902
175	1	15	LEU	HD22	H	0.902
176	1	15	LEU	HD23	H	0.902
177	1	15	LEU	CA	C	57.480
178	1	15	LEU	CB	C	41.051
179	1	15	LEU	CD1	C	22.828
180	1	15	LEU	CD2	C	22.409
181	1	15	LEU	N	N	119.128
182	1	16	LEU	H	H	7.613
183	1	16	LEU	HA	H	4.131
184	1	16	LEU	HB2	H	1.823
185	1	16	LEU	HB3	H	1.939
186	1	16	LEU	HD11	H	0.936
187	1	16	LEU	HD12	H	0.936
188	1	16	LEU	HD13	H	0.936
189	1	16	LEU	HD21	H	0.898
190	1	16	LEU	HD22	H	0.898
191	1	16	LEU	HD23	H	0.898
192	1	16	LEU	CA	C	57.625
193	1	16	LEU	CB	C	41.079
194	1	16	LEU	CD1	C	22.538
195	1	16	LEU	CD2	C	22.876
196	1	16	LEU	N	N	118.588
197	1	17	LEU	H	H	7.614
198	1	17	LEU	HA	H	4.087
199	1	17	LEU	HB2	H	1.759
200	1	17	LEU	HD11	H	0.934
201	1	17	LEU	HD12	H	0.934
202	1	17	LEU	HD13	H	0.934
203	1	17	LEU	HD21	H	0.899
204	1	17	LEU	HD22	H	0.899
205	1	17	LEU	HD23	H	0.899
206	1	17	LEU	CA	C	57.480
207	1	17	LEU	CB	C	41.051
208	1	17	LEU	CD1	C	23.067
209	1	17	LEU	N	N	116.576
210	1	18	VAL	H	H	8.151
211	1	18	VAL	HA	H	3.566
212	1	18	VAL	HB	H	2.361
213	1	18	VAL	HG11	H	1.077
214	1	18	VAL	HG12	H	1.077
215	1	18	VAL	HG13	H	1.077
216	1	18	VAL	HG21	H	0.937
217	1	18	VAL	HG22	H	0.937
218	1	18	VAL	HG23	H	0.937
219	1	18	VAL	CA	C	66.569
220	1	18	VAL	CB	C	31.057
221	1	18	VAL	CG1	C	21.451
222	1	18	VAL	CG2	C	19.841
223	1	18	VAL	N	N	118.348
224	1	19	ILE	H	H	8.221
225	1	19	ILE	HA	H	3.723
226	1	19	ILE	HB	H	2.081
227	1	19	ILE	HG12	H	1.238
228	1	19	ILE	HG21	H	0.940
229	1	19	ILE	HG22	H	0.940
230	1	19	ILE	HG23	H	0.940
231	1	19	ILE	HD11	H	0.845
232	1	19	ILE	HD12	H	0.845
233	1	19	ILE	HD13	H	0.845
234	1	19	ILE	CA	C	65.361
235	1	19	ILE	CB	C	37.215
236	1	19	ILE	CG1	C	30.911
237	1	19	ILE	CG2	C	16.050
238	1	19	ILE	CD1	C	11.510
239	1	19	ILE	N	N	118.511
240	1	20	LEU	H	H	8.330
241	1	20	LEU	HA	H	4.196
242	1	20	LEU	HB2	H	1.710
243	1	20	LEU	HB3	H	2.020
244	1	20	LEU	HG	H	1.866
245	1	20	LEU	HD11	H	0.888
246	1	20	LEU	HD12	H	0.888
247	1	20	LEU	HD13	H	0.888
248	1	20	LEU	CA	C	57.690
249	1	20	LEU	CB	C	41.322
250	1	20	LEU	CG	C	26.168
251	1	20	LEU	CD1	C	22.108
252	1	20	LEU	N	N	121.800
253	1	21	VAL	H	H	8.531
254	1	21	VAL	HA	H	3.695
255	1	21	VAL	HB	H	2.268
256	1	21	VAL	HG11	H	1.080
257	1	21	VAL	HG12	H	1.080
258	1	21	VAL	HG13	H	1.080
259	1	21	VAL	HG21	H	0.965
260	1	21	VAL	HG22	H	0.965
261	1	21	VAL	HG23	H	0.965
262	1	21	VAL	CA	C	66.249
263	1	21	VAL	CB	C	31.191
264	1	21	VAL	CG1	C	21.451
265	1	21	VAL	CG2	C	20.133
266	1	21	VAL	N	N	119.776
267	1	22	LEU	H	H	8.749
268	1	22	LEU	HA	H	4.164
269	1	22	LEU	HB2	H	1.599
270	1	22	LEU	HB3	H	1.915
271	1	22	LEU	HD11	H	0.869
272	1	22	LEU	HD12	H	0.869
273	1	22	LEU	HD13	H	0.869
274	1	22	LEU	CA	C	57.637
275	1	22	LEU	CB	C	41.062
276	1	22	LEU	CD1	C	23.619
277	1	22	LEU	N	N	120.233
278	1	23	GLY	H	H	8.139
279	1	23	GLY	HA2	H	3.974
280	1	23	GLY	HA3	H	3.798
281	1	23	GLY	CA	C	46.601
282	1	23	GLY	N	N	105.063
283	1	24	VAL	H	H	7.955
284	1	24	VAL	HA	H	3.766
285	1	24	VAL	HB	H	2.343
286	1	24	VAL	HG11	H	1.096
287	1	24	VAL	HG12	H	1.096
288	1	24	VAL	HG13	H	1.096
289	1	24	VAL	HG21	H	0.968
290	1	24	VAL	HG22	H	0.968
291	1	24	VAL	HG23	H	0.968
292	1	24	VAL	CA	C	65.737
293	1	24	VAL	CB	C	31.085
294	1	24	VAL	CG1	C	21.320
295	1	24	VAL	CG2	C	20.133
296	1	24	VAL	N	N	122.319
297	1	25	MET	H	H	8.293
298	1	25	MET	HA	H	4.147
299	1	25	MET	HB2	H	2.397
300	1	25	MET	HB3	H	2.134
301	1	25	MET	HG2	H	2.769
302	1	25	MET	HG3	H	2.601
303	1	25	MET	CA	C	58.389
304	1	25	MET	CB	C	31.450
305	1	25	MET	CG	C	31.774
306	1	25	MET	N	N	118.799
307	1	26	VAL	H	H	8.468
308	1	26	VAL	HA	H	3.682
309	1	26	VAL	HB	H	2.200
310	1	26	VAL	HG11	H	1.082
311	1	26	VAL	HG12	H	1.082
312	1	26	VAL	HG13	H	1.082
313	1	26	VAL	HG21	H	0.955
314	1	26	VAL	HG22	H	0.955
315	1	26	VAL	HG23	H	0.955
316	1	26	VAL	CA	C	65.839
317	1	26	VAL	CB	C	31.197
318	1	26	VAL	CG1	C	21.451
319	1	26	VAL	CG2	C	20.133
320	1	26	VAL	N	N	118.639
321	1	27	ALA	H	H	7.917
322	1	27	ALA	HA	H	4.078
323	1	27	ALA	HB1	H	1.549
324	1	27	ALA	HB2	H	1.549
325	1	27	ALA	HB3	H	1.549
326	1	27	ALA	CA	C	54.515
327	1	27	ALA	CB	C	17.096
328	1	27	ALA	N	N	120.708
329	1	28	LYS	H	H	8.275
330	1	28	LYS	HA	H	4.132
331	1	28	LYS	HB2	H	1.944
332	1	28	LYS	HB3	H	2.010
333	1	28	LYS	HG2	H	1.545
334	1	28	LYS	HG3	H	1.646
335	1	28	LYS	HD2	H	1.712
336	1	28	LYS	HE2	H	2.977
337	1	28	LYS	CA	C	57.625
338	1	28	LYS	CB	C	31.757
339	1	28	LYS	CG	C	24.395
340	1	28	LYS	CD	C	28.290
341	1	28	LYS	CE	C	41.575
342	1	28	LYS	N	N	116.912
343	1	29	LYS	H	H	8.023
344	1	29	LYS	HA	H	4.206
345	1	29	LYS	HB2	H	1.973
346	1	29	LYS	HG2	H	1.512
347	1	29	LYS	HG3	H	1.605
348	1	29	LYS	HD2	H	1.728
349	1	29	LYS	HE2	H	2.995
350	1	29	LYS	CA	C	57.105
351	1	29	LYS	CB	C	31.856
352	1	29	LYS	CG	C	24.250
353	1	29	LYS	CD	C	28.324
354	1	29	LYS	CE	C	41.575
355	1	29	LYS	N	N	119.217
356	1	30	LYS	H	H	8.133
357	1	30	LYS	HA	H	4.217
358	1	30	LYS	HB2	H	1.906
359	1	30	LYS	HG2	H	1.589
360	1	30	LYS	HD2	H	1.710
361	1	30	LYS	HE2	H	2.984
362	1	30	LYS	CA	C	56.230
363	1	30	LYS	CB	C	32.160
364	1	30	LYS	CG	C	24.193
365	1	30	LYS	CD	C	28.290
366	1	30	LYS	CE	C	41.575
367	1	30	LYS	N	N	119.264

Release date

2023-05-10

Citation

Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by γ-Secretase
Ortner, M., Guschtschin-Schmidt, N., Stelzer, W., Muhle-Goll, C., Langosch, D.
J. Mol. Biol. (2023), 435, 168218-168218, PubMed 37536392 , DOI 10.1016/j.jmb.2023.168218 , Abstract

Related entities 1. Notch 3 extracellular truncation, : 1 : 15 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail