BMRB: 50910

Rules for designing protein fold switches and their implications for the folding code

Authors

He, Y., Chen, Y., Ruan, B., Choi, E.J., Chen, Y., Motabar, D., Solomon, T., Simmerman, R., Kauffman, T., Gallagher, D., Bryan, P.N., Orban, J.

Assembly

B1

Entity

1. B1 (polymer, Thiol state: all free), 56 monomers, 5873.398 Da Detail

ATFKLVLNGK TLKGETTTEA VDAATALKNF GAYAQDVGVD GAWTYDDATK TFTVGE

Formula weight

5873.398 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 116, ¹³C: 161, ¹⁵N: 55 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	1	ALA	C	C	172.828	0	1
2	1	1	ALA	CA	C	51.644	0	1
3	1	1	ALA	CB	C	19.373	0	1
4	1	2	THR	H	H	8.537	0.008	1
5	1	2	THR	HA	H	4.042	0	1
6	1	2	THR	C	C	174.056	0	1
7	1	2	THR	CA	C	62.812	0.008	1
8	1	2	THR	CB	C	69.415	0.019	1
9	1	2	THR	N	N	117.53	0	1
10	1	3	PHE	H	H	9.229	0.01	1
11	1	3	PHE	HA	H	5.352	0	1
12	1	3	PHE	C	C	174.329	0	1
13	1	3	PHE	CA	C	56.758	0.074	1
14	1	3	PHE	CB	C	43.883	0.036	1
15	1	3	PHE	N	N	125.958	0	1
16	1	4	LYS	H	H	9.158	0.012	1
17	1	4	LYS	HA	H	5.257	0	1
18	1	4	LYS	C	C	172.991	0	1
19	1	4	LYS	CA	C	55.334	0.091	1
20	1	4	LYS	CB	C	35.747	0.046	1
21	1	4	LYS	N	N	122.418	0	1
22	1	5	LEU	H	H	8.666	0.014	1
23	1	5	LEU	HA	H	4.929	0	1
24	1	5	LEU	C	C	174.548	0	1
25	1	5	LEU	CA	C	52.896	0.063	1
26	1	5	LEU	CB	C	42.897	0.036	1
27	1	5	LEU	N	N	126.507	0	1
28	1	6	VAL	H	H	9.105	0.013	1
29	1	6	VAL	HA	H	4.274	0	1
30	1	6	VAL	C	C	174.602	0	1
31	1	6	VAL	CA	C	62.128	0.019	1
32	1	6	VAL	CB	C	32.651	0.129	1
33	1	6	VAL	N	N	127.214	0	1
34	1	7	LEU	H	H	8.723	0.012	1
35	1	7	LEU	HA	H	4.56	0	1
36	1	7	LEU	C	C	175.449	0	1
37	1	7	LEU	CA	C	54.567	0.036	1
38	1	7	LEU	CB	C	42.075	0.019	1
39	1	7	LEU	N	N	125.661	0	1
40	1	8	ASN	H	H	8.935	0.01	1
41	1	8	ASN	HA	H	5.202	0	1
42	1	8	ASN	C	C	175.394	0	1
43	1	8	ASN	CA	C	51.499	0.2	1
44	1	8	ASN	CB	C	38.788	0.019	1
45	1	8	ASN	N	N	125.478	0	1
46	1	9	GLY	H	H	7.941	0.012	1
47	1	9	GLY	HA2	H	4.342	0	2
48	1	9	GLY	HA3	H	3.973	0	2
49	1	9	GLY	C	C	173.701	0	1
50	1	9	GLY	CA	C	45.253	0.074	1
51	1	9	GLY	N	N	108.286	0	1
52	1	10	LYS	H	H	8.853	0.01	1
53	1	10	LYS	HA	H	4.001	0	1
54	1	10	LYS	C	C	178.643	0	1
55	1	10	LYS	CA	C	59.032	0.118	1
56	1	10	LYS	CB	C	32.596	0.035	1
57	1	10	LYS	N	N	120.407	0	1
58	1	11	THR	H	H	8.535	0.009	1
59	1	11	THR	HA	H	4.41	0	1
60	1	11	THR	C	C	173.783	0	1
61	1	11	THR	CA	C	61.963	0.129	1
62	1	11	THR	CB	C	69.798	0.019	1
63	1	11	THR	N	N	107.74	0	1
64	1	12	LEU	H	H	7.263	0.011	1
65	1	12	LEU	HA	H	4.438	0	1
66	1	12	LEU	C	C	173.456	0	1
67	1	12	LEU	CA	C	55.581	0.282	1
68	1	12	LEU	CB	C	43.637	0.118	1
69	1	12	LEU	N	N	124.654	0	1
70	1	13	LYS	H	H	8.122	0.009	1
71	1	13	LYS	HA	H	4.997	0	1
72	1	13	LYS	C	C	176.35	0	1
73	1	13	LYS	CA	C	54.211	0.101	1
74	1	13	LYS	CB	C	34.87	0.156	1
75	1	13	LYS	N	N	123.253	0	1
76	1	14	GLY	H	H	8.377	0.012	1
77	1	14	GLY	HA2	H	4.206	0	1
78	1	14	GLY	HA3	H	4.206	0	1
79	1	14	GLY	C	C	171.384	0	1
80	1	14	GLY	CA	C	45.253	0.091	1
81	1	14	GLY	N	N	109.47	0	1
82	1	15	GLU	H	H	8.386	0.009	1
83	1	15	GLU	HA	H	5.584	0	1
84	1	15	GLU	C	C	175.23	0	1
85	1	15	GLU	CA	C	54.923	0.101	1
86	1	15	GLU	CB	C	33.747	0.074	1
87	1	15	GLU	N	N	118.601	0	1
88	1	16	THR	H	H	8.824	0.013	1
89	1	16	THR	HA	H	4.738	0	1
90	1	16	THR	C	C	172.363	0	1
91	1	16	THR	CA	C	60.567	0.008	1
92	1	16	THR	CB	C	69.579	0.019	1
93	1	16	THR	N	N	116.151	0	1
94	1	17	THR	H	H	8.162	0.012	1
95	1	17	THR	HA	H	5.844	0	1
96	1	17	THR	C	C	173.92	0	1
97	1	17	THR	CA	C	60.165	0.138	1
98	1	17	THR	CB	C	73.196	0.018	1
99	1	17	THR	N	N	111.754	0.018	1
100	1	18	THR	H	H	9.031	0.012	1
101	1	18	THR	HA	H	4.615	0	1
102	1	18	THR	C	C	170.643	0	1
103	1	18	THR	CA	C	61.827	0.101	1
104	1	18	THR	CB	C	69.904	0.016	1
105	1	18	THR	N	N	115.103	0.007	1
106	1	19	GLU	H	H	7.806	0.01	1
107	1	19	GLU	HA	H	5.311	0	1
108	1	19	GLU	C	C	175.694	0	1
109	1	19	GLU	CA	C	54.513	0.073	1
110	1	19	GLU	CB	C	30.186	0.036	1
111	1	19	GLU	N	N	125.75	0.016	1
112	1	20	ALA	H	H	9.224	0.01	1
113	1	20	ALA	HA	H	4.779	0	1
114	1	20	ALA	C	C	177.687	0	1
115	1	20	ALA	CA	C	50.924	0.156	1
116	1	20	ALA	CB	C	23.173	0.036	1
117	1	20	ALA	N	N	125.566	0	1
118	1	21	VAL	H	H	8.537	0.009	1
119	1	21	VAL	HA	H	4.929	0	1
120	1	21	VAL	C	C	175.189	0	1
121	1	21	VAL	CA	C	63.963	0.102	1
122	1	21	VAL	CB	C	31.857	0.101	1
123	1	21	VAL	N	N	116.52	0	1
124	1	22	ASP	H	H	7.244	0.015	1
125	1	22	ASP	HA	H	4.711	0	1
126	1	22	ASP	C	C	174.152	0	1
127	1	22	ASP	CA	C	52.594	0.091	1
128	1	22	ASP	CB	C	42.651	0.046	1
129	1	22	ASP	N	N	114.853	0	1
130	1	23	ALA	H	H	8.613	0.011	1
131	1	23	ALA	HA	H	3.059	0	1
132	1	23	ALA	C	C	178.875	0	1
133	1	23	ALA	CA	C	54.814	0.156	1
134	1	23	ALA	CB	C	17.233	0.05	1
135	1	23	ALA	N	N	122.108	0.017	1
136	1	24	ALA	H	H	8.062	0.008	1
137	1	24	ALA	HA	H	3.782	0	1
138	1	24	ALA	C	C	180.923	0	1
139	1	24	ALA	CA	C	54.95	0.036	1
140	1	24	ALA	CB	C	17.475	0.036	1
141	1	24	ALA	N	N	120.266	0.013	1
142	1	25	THR	H	H	8.265	0.011	1
143	1	25	THR	HA	H	3.619	0	1
144	1	25	THR	C	C	175.845	0	1
145	1	25	THR	CA	C	66.366	0	1
146	1	25	THR	CB	C	66.852	1.399	1
147	1	25	THR	N	N	116.52	0	1
148	1	26	ALA	H	H	7.502	0.011	1
149	1	26	ALA	HA	H	3.1	0	1
150	1	26	ALA	C	C	177.592	0	1
151	1	26	ALA	CA	C	55.087	0.046	1
152	1	26	ALA	CB	C	17.118	0.009	1
153	1	26	ALA	N	N	124.666	0	1
154	1	27	LEU	H	H	8.013	0.01	1
155	1	27	LEU	HA	H	3.168	0	1
156	1	27	LEU	C	C	179.257	0	1
157	1	27	LEU	CA	C	57.721	0.05	1
158	1	27	LEU	CB	C	40.514	0.009	1
159	1	27	LEU	N	N	117.029	0.006	1
160	1	28	LYS	H	H	7.1	0.014	1
161	1	28	LYS	HA	H	3.81	0	1
162	1	28	LYS	C	C	179.53	0	1
163	1	28	LYS	CA	C	59.69	0.173	1
164	1	28	LYS	CB	C	31.638	0.008	1
165	1	28	LYS	N	N	120.157	0	1
166	1	29	ASN	H	H	7.725	0.009	1
167	1	29	ASN	HA	H	4.315	0	1
168	1	29	ASN	C	C	179.175	0	1
169	1	29	ASN	CA	C	55.909	0.118	1
170	1	29	ASN	CB	C	36.98	0.128	1
171	1	29	ASN	N	N	120.228	0	1
172	1	30	PHE	H	H	8.968	0.012	1
173	1	30	PHE	HA	H	4.834	0	1
174	1	30	PHE	C	C	178.193	0	1
175	1	30	PHE	CA	C	56.731	0.156	1
176	1	30	PHE	CB	C	38.102	0.008	1
177	1	30	PHE	N	N	120.499	0	1
178	1	31	GLY	H	H	8.927	0.013	1
179	1	31	GLY	HA2	H	3.837	0	1
180	1	31	GLY	HA3	H	3.837	0	1
181	1	31	GLY	C	C	176.418	0	1
182	1	31	GLY	CA	C	47.28	0.074	1
183	1	31	GLY	N	N	110.459	0	1
184	1	32	ALA	H	H	7.345	0.013	1
185	1	32	ALA	HA	H	4.26	0	1
186	1	32	ALA	C	C	179.449	0	1
187	1	32	ALA	CA	C	54.896	0.019	1
188	1	32	ALA	CB	C	17.694	0.019	1
189	1	32	ALA	N	N	124.117	0	1
190	1	33	TYR	H	H	7.769	0.012	1
191	1	33	TYR	HA	H	4.219	0	1
192	1	33	TYR	C	C	176.937	0	1
193	1	33	TYR	CA	C	61.689	0.091	1
194	1	33	TYR	CB	C	38.787	0.129	1
195	1	33	TYR	N	N	119.917	0	1
196	1	34	ALA	H	H	8.918	0.012	1
197	1	34	ALA	HA	H	3.878	0	1
198	1	34	ALA	C	C	179.23	0	1
199	1	34	ALA	CA	C	54.978	0.118	1
200	1	34	ALA	CB	C	17.721	0.101	1
201	1	34	ALA	N	N	119.907	0	1
202	1	35	GLN	H	H	7.806	0.012	1
203	1	35	GLN	HA	H	4.11	0	1
204	1	35	GLN	C	C	178.821	0	1
205	1	35	GLN	CA	C	58.648	0.008	1
206	1	35	GLN	CB	C	28.378	0.019	1
207	1	35	GLN	N	N	116.366	0	1
208	1	36	ASP	H	H	7.95	0.012	1
209	1	36	ASP	HA	H	4.206	0	1
210	1	36	ASP	C	C	178.302	0	1
211	1	36	ASP	CA	C	57.306	0.09	1
212	1	36	ASP	CB	C	40.843	0.009	1
213	1	36	ASP	N	N	120.738	0	1
214	1	37	VAL	H	H	7.659	0.012	1
215	1	37	VAL	HA	H	4.206	0	1
216	1	37	VAL	C	C	176.391	0	1
217	1	37	VAL	CA	C	62.237	0.129	1
218	1	37	VAL	CB	C	31.282	0.09	1
219	1	37	VAL	N	N	110.774	0	1
220	1	38	GLY	H	H	7.705	0.014	1
221	1	38	GLY	HA2	H	3.905	0	1
222	1	38	GLY	HA3	H	3.905	0	1
223	1	38	GLY	C	C	174.479	0	1
224	1	38	GLY	CA	C	46.513	0.074	1
225	1	38	GLY	N	N	109.781	0.033	1
226	1	39	VAL	H	H	7.94	0.01	1
227	1	39	VAL	HA	H	4.206	0	1
228	1	39	VAL	C	C	173.524	0	1
229	1	39	VAL	CA	C	62.073	0.019	1
230	1	39	VAL	CB	C	33.007	0.156	1
231	1	39	VAL	N	N	120.732	0.011	1
232	1	40	ASP	H	H	8.232	0.011	1
233	1	40	ASP	HA	H	4.806	0	1
234	1	40	ASP	C	C	174.616	0	1
235	1	40	ASP	CA	C	52.731	0.009	1
236	1	40	ASP	CB	C	43.254	0.008	1
237	1	40	ASP	N	N	125.973	0.002	1
238	1	41	GLY	H	H	7.818	0.009	1
239	1	41	GLY	HA2	H	3.909	0	1
240	1	41	GLY	HA3	H	3.909	0	1
241	1	41	GLY	C	C	171.749	0	1
242	1	41	GLY	CA	C	44.951	0.009	1
243	1	41	GLY	N	N	107.307	0	1
244	1	42	ALA	H	H	8.26	0.012	1
245	1	42	ALA	HA	H	4.642	0	1
246	1	42	ALA	C	C	177.783	0	1
247	1	42	ALA	CA	C	51.8	0.228	1
248	1	42	ALA	CB	C	19.666	0.019	1
249	1	42	ALA	N	N	123.465	0	1
250	1	43	TRP	H	H	8.97	0.007	1
251	1	43	TRP	HA	H	5.448	0	1
252	1	43	TRP	C	C	177.455	0	1
253	1	43	TRP	CA	C	57.306	0.035	1
254	1	43	TRP	CB	C	30.322	0.009	1
255	1	43	TRP	N	N	123.51	0	1
256	1	44	THR	H	H	9.214	0.01	1
257	1	44	THR	HA	H	4.847	0	1
258	1	44	THR	C	C	172.677	0	1
259	1	44	THR	CA	C	60.841	0.063	1
260	1	44	THR	CB	C	72.264	0.019	1
261	1	44	THR	N	N	115.018	0	1
262	1	45	TYR	H	H	8.64	0.011	1
263	1	45	TYR	HA	H	4.97	0	1
264	1	45	TYR	C	C	173.278	0	1
265	1	45	TYR	CA	C	56.841	0.118	1
266	1	45	TYR	CB	C	41.555	0.046	1
267	1	45	TYR	N	N	121.036	0	1
268	1	46	ASP	H	H	7.723	0.013	1
269	1	46	ASP	HA	H	4.588	0	1
270	1	46	ASP	C	C	174.534	0	1
271	1	46	ASP	CA	C	52.102	0.091	1
272	1	46	ASP	CB	C	42.788	0.146	1
273	1	46	ASP	N	N	128.703	0	1
274	1	47	ASP	H	H	8.453	0.01	1
275	1	47	ASP	HA	H	4.028	0	1
276	1	47	ASP	C	C	178.029	0	1
277	1	47	ASP	CA	C	56.43	0.128	1
278	1	47	ASP	CB	C	41.828	0.101	1
279	1	47	ASP	N	N	124.74	0	1
280	1	48	ALA	H	H	8.268	0.01	1
281	1	48	ALA	HA	H	4.069	0	1
282	1	48	ALA	C	C	179.77	0	1
283	1	48	ALA	CA	C	54.95	0.091	1
284	1	48	ALA	CB	C	18.187	0.091	1
285	1	48	ALA	N	N	119.949	0	1
286	1	49	THR	H	H	6.982	0.013	1
287	1	49	THR	HA	H	4.356	0	1
288	1	49	THR	C	C	175.189	0	1
289	1	49	THR	CA	C	60.402	0.211	1
290	1	49	THR	CB	C	70.401	0.019	1
291	1	49	THR	N	N	103.285	0	1
292	1	50	LYS	H	H	7.843	0.011	1
293	1	50	LYS	HA	H	4.055	0	1
294	1	50	LYS	C	C	174.725	0	1
295	1	50	LYS	CA	C	57.416	0.036	1
296	1	50	LYS	CB	C	29.885	0.101	1
297	1	50	LYS	N	N	123.483	0	1
298	1	51	THR	H	H	7.361	0.013	1
299	1	51	THR	HA	H	5.461	0	1
300	1	51	THR	C	C	174.725	0	1
301	1	51	THR	CA	C	62.347	0.019	1
302	1	51	THR	CB	C	72.1	0.019	1
303	1	51	THR	N	N	111.135	0	1
304	1	52	PHE	H	H	10.284	0.016	1
305	1	52	PHE	HA	H	5.721	0	1
306	1	52	PHE	C	C	174.671	0	1
307	1	52	PHE	CA	C	57.197	0.091	1
308	1	52	PHE	CB	C	42.815	0.118	1
309	1	52	PHE	N	N	130.515	0	1
310	1	53	THR	H	H	9.045	0.014	1
311	1	53	THR	HA	H	5.27	0	1
312	1	53	THR	C	C	172.541	0	1
313	1	53	THR	CA	C	61.581	0.146	1
314	1	53	THR	CB	C	71.196	0.265	1
315	1	53	THR	N	N	116.7	0	1
316	1	54	VAL	H	H	8.21	0.01	1
317	1	54	VAL	HA	H	4.522	0	1
318	1	54	VAL	C	C	173.551	0	1
319	1	54	VAL	CA	C	58.594	0.063	1
320	1	54	VAL	CB	C	32.733	0.102	1
321	1	54	VAL	N	N	122.962	0.01	1
322	1	55	GLY	H	H	8.043	0.015	1
323	1	55	GLY	HA2	H	3.987	0	1
324	1	55	GLY	HA3	H	3.987	0	1
325	1	55	GLY	C	C	172.65	0	1
326	1	55	GLY	CA	C	44.574	0.112	1
327	1	55	GLY	N	N	113.295	0	1
328	1	56	GLU	H	H	7.83	0.012	1
329	1	56	GLU	HA	H	4.206	0	1
330	1	56	GLU	CA	C	58.367	0	1
331	1	56	GLU	CB	C	31.848	0	1
332	1	56	GLU	N	N	126.749	0	1

Release date

2021-04-21

Citation

Design and characterization of a protein fold switching network
He, Y., Chen, Y., Ruan, B., Choi, E.J., Chen, Y., Motabar, D., Solomon, T., Simmerman, R., Kauffman, T., Gallagher, D., Bryan, P.N., Orban, J.
Nat. Commun. (2023), 14, 431-431, PubMed 36702827 , DOI 10.1038/s41467-023-36065-3 , Abstract

Entries sharing articles BMRB: 7 entries Detail

Related entities 1. B1, : 1 : 104 entities Detail

Interaction partners 1. B1, : 1 interactors Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail