BMRB: 50909

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

B4

Entity

1. B4 (polymer, Thiol state: all free), 56 monomers, 6251.736 Da Detail

TTYKLILNLK FAFGDTNSEA VDAAEAEKKF KQYANDHGVD GEWTYDDATK TFTVTA

Formula weight

6251.736 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 50, ¹³C: 158, ¹⁵N: 50 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	THR	C	C	169.679	0	1
2	1	1	THR	CA	C	62.246	0	1
3	1	1	THR	CB	C	69.369	0	1
4	1	2	THR	H	H	8.715	0.003	1
5	1	2	THR	C	C	173.103	0	1
6	1	2	THR	CA	C	63.195	0.018	1
7	1	2	THR	CB	C	69.085	0.155	1
8	1	2	THR	N	N	123.899	0	1
9	1	3	TYR	H	H	9.206	0.002	1
10	1	3	TYR	C	C	174.61	0	1
11	1	3	TYR	CA	C	57.196	0.045	1
12	1	3	TYR	CB	C	42.813	0.017	1
13	1	3	TYR	N	N	126.979	0	1
14	1	4	LYS	H	H	9.007	0.006	1
15	1	4	LYS	C	C	173.186	0	1
16	1	4	LYS	CA	C	55.606	0.1	1
17	1	4	LYS	CB	C	35.745	0.072	1
18	1	4	LYS	N	N	122.11	0	1
19	1	5	LEU	H	H	8.423	0.004	1
20	1	5	LEU	C	C	173.186	0	1
21	1	5	LEU	CA	C	53.114	0.017	1
22	1	5	LEU	CB	C	42.703	0.017	1
23	1	5	LEU	N	N	125.887	0	1
24	1	6	ILE	H	H	9.09	0.004	1
25	1	6	ILE	C	C	174.528	0	1
26	1	6	ILE	CA	C	59.743	0.018	1
27	1	6	ILE	CB	C	38.703	0.126	1
28	1	6	ILE	N	N	126.929	0	1
29	1	7	LEU	H	H	8.555	0.004	1
30	1	7	LEU	C	C	174.665	0	1
31	1	7	LEU	CA	C	53.908	0.209	1
32	1	7	LEU	CB	C	41.005	0.127	1
33	1	7	LEU	N	N	126.286	0	1
34	1	8	ASN	H	H	8.798	0.002	1
35	1	8	ASN	C	C	174.062	0	1
36	1	8	ASN	CA	C	51.626	0	1
37	1	8	ASN	CB	C	37.7	0	1
38	1	8	ASN	N	N	124.405	0	1
39	1	9	LEU	H	H	7.5	0.002	1
40	1	9	LEU	C	C	177.213	0	1
41	1	9	LEU	CA	C	53.46	0	1
42	1	9	LEU	CB	C	42.775	0	1
43	1	9	LEU	N	N	120.861	0	1
44	1	11	PHE	CA	C	55.945	0	1
45	1	11	PHE	CB	C	42.184	0	1
46	1	12	ALA	H	H	8.322	0.002	1
47	1	12	ALA	C	C	179.788	0	1
48	1	12	ALA	CA	C	55.049	0	1
49	1	12	ALA	CB	C	18.174	0	1
50	1	12	ALA	N	N	120.018	0.022	1
51	1	13	PHE	CA	C	57.096	0	1
52	1	13	PHE	CB	C	40.878	0	1
53	1	14	GLY	H	H	8.229	0.006	1
54	1	14	GLY	C	C	175.761	0	1
55	1	14	GLY	CA	C	44.967	0	1
56	1	14	GLY	N	N	111.199	0	1
57	1	15	ASP	CA	C	53.535	0	1
58	1	15	ASP	CB	C	43.289	0	1
59	1	16	THR	H	H	8.495	0.004	1
60	1	16	THR	C	C	171.843	0	1
61	1	16	THR	CA	C	60.894	0.037	1
62	1	16	THR	CB	C	69.359	0.045	1
63	1	16	THR	N	N	113.527	0	1
64	1	17	ASN	H	H	8.346	0.004	1
65	1	17	ASN	C	C	174.555	0	1
66	1	17	ASN	CA	C	52.428	0.045	1
67	1	17	ASN	CB	C	42.402	0.065	1
68	1	17	ASN	N	N	119.224	0	1
69	1	18	SER	H	H	9.184	0.003	1
70	1	18	SER	C	C	173.076	0	1
71	1	18	SER	CA	C	59.059	0.1	1
72	1	18	SER	CB	C	66.784	0.155	1
73	1	18	SER	N	N	113.723	0	1
74	1	19	GLU	H	H	8.555	0.004	1
75	1	19	GLU	C	C	176.254	0	1
76	1	19	GLU	CA	C	55.525	0.181	1
77	1	19	GLU	CB	C	30.512	0.011	1
78	1	19	GLU	N	N	125.471	0	1
79	1	20	ALA	H	H	9.034	0.003	1
80	1	20	ALA	C	C	176.994	0	1
81	1	20	ALA	CA	C	51.495	0.042	1
82	1	20	ALA	CB	C	22.623	0.099	1
83	1	20	ALA	N	N	124.849	0.012	1
84	1	21	VAL	H	H	8.904	0.004	1
85	1	21	VAL	C	C	175.843	0	1
86	1	21	VAL	CA	C	64.318	0.045	1
87	1	21	VAL	CB	C	31.992	0.044	1
88	1	21	VAL	N	N	117.789	0	1
89	1	22	ASP	H	H	7.402	0.005	1
90	1	22	ASP	C	C	174.966	0	1
91	1	22	ASP	CA	C	52.638	0	1
92	1	22	ASP	CB	C	41.899	0	1
93	1	22	ASP	N	N	115.675	0	1
94	1	23	ALA	CA	C	54.576	0	1
95	1	23	ALA	CB	C	17.428	0	1
96	1	24	ALA	H	H	7.858	0.002	1
97	1	24	ALA	C	C	180.61	0	1
98	1	24	ALA	CA	C	54.922	0.072	1
99	1	24	ALA	CB	C	17.582	0.12	1
100	1	24	ALA	N	N	121.797	0	1
101	1	25	GLU	H	H	7.924	0.004	1
102	1	25	GLU	C	C	178.884	0	1
103	1	25	GLU	CA	C	58.73	0.174	1
104	1	25	GLU	CB	C	29.006	0.202	1
105	1	25	GLU	N	N	120.147	0	1
106	1	26	ALA	H	H	7.481	0.003	1
107	1	26	ALA	C	C	177.267	0	1
108	1	26	ALA	CA	C	54.922	0.182	1
109	1	26	ALA	CB	C	17.171	0.181	1
110	1	26	ALA	N	N	121.636	0	1
111	1	27	GLU	H	H	8.188	0.005	1
112	1	27	GLU	C	C	177.459	0	1
113	1	27	GLU	CA	C	59.689	0.401	1
114	1	27	GLU	CB	C	29.142	0.011	1
115	1	27	GLU	N	N	117.307	0	1
116	1	28	LYS	H	H	7.156	0.004	1
117	1	28	LYS	C	C	179.815	0	1
118	1	28	LYS	CA	C	59.452	0	1
119	1	28	LYS	CB	C	32.129	0.017	1
120	1	28	LYS	N	N	117.233	0	1
121	1	29	LYS	H	H	7.641	0.001	1
122	1	29	LYS	C	C	180.637	0	1
123	1	29	LYS	CA	C	59.387	0.319	1
124	1	29	LYS	CB	C	31.691	0.127	1
125	1	29	LYS	N	N	119.721	0	1
126	1	30	PHE	H	H	8.753	0.01	1
127	1	30	PHE	C	C	178.528	0	1
128	1	30	PHE	CA	C	57.141	0.154	1
129	1	30	PHE	CB	C	37.142	0.065	1
130	1	30	PHE	N	N	120.962	0.008	1
131	1	31	LYS	H	H	9.036	0.002	1
132	1	31	LYS	C	C	179.432	0	1
133	1	31	LYS	CA	C	59.797	0.181	1
134	1	31	LYS	CB	C	31.225	0.318	1
135	1	31	LYS	N	N	123.45	0.01	1
136	1	32	GLN	H	H	7.555	0.005	1
137	1	32	GLN	C	C	177.267	0	1
138	1	32	GLN	CA	C	59.195	0.127	1
139	1	32	GLN	CB	C	27.855	0.017	1
140	1	32	GLN	N	N	120.125	0	1
141	1	33	TYR	H	H	8.177	0.002	1
142	1	33	TYR	C	C	179.048	0	1
143	1	33	TYR	CA	C	61.743	0.319	1
144	1	33	TYR	CB	C	38.265	0.017	1
145	1	33	TYR	N	N	120.891	0	1
146	1	34	ALA	H	H	9.29	0.003	1
147	1	34	ALA	C	C	179.569	0	1
148	1	34	ALA	CA	C	56.072	0.236	1
149	1	34	ALA	CB	C	17.555	0.072	1
150	1	34	ALA	N	N	123.09	0	1
151	1	35	ASN	H	H	8.489	0.005	1
152	1	35	ASN	C	C	179.185	0	1
153	1	35	ASN	CA	C	56.867	0.119	1
154	1	35	ASN	CB	C	38.758	0.127	1
155	1	35	ASN	N	N	118.699	0.013	1
156	1	36	ASP	H	H	8.765	0.008	1
157	1	36	ASP	C	C	177.103	0	1
158	1	36	ASP	CA	C	57.032	0.099	1
159	1	36	ASP	CB	C	39.854	0.017	1
160	1	36	ASP	N	N	120.965	0.003	1
161	1	37	HIS	H	H	7.602	0.005	1
162	1	37	HIS	C	C	174.117	0	1
163	1	37	HIS	CA	C	56.291	0.237	1
164	1	37	HIS	CB	C	28.43	0.065	1
165	1	37	HIS	N	N	114.766	0	1
166	1	38	GLY	H	H	7.855	0.005	1
167	1	38	GLY	C	C	174.254	0	1
168	1	38	GLY	CA	C	47.005	0.01	1
169	1	38	GLY	N	N	109.568	0.037	1
170	1	39	VAL	H	H	8.183	0.002	1
171	1	39	VAL	C	C	173.98	0	1
172	1	39	VAL	CA	C	61.689	0.155	1
173	1	39	VAL	CB	C	33.553	0.126	1
174	1	39	VAL	N	N	118.998	0.022	1
175	1	40	ASP	H	H	8.146	0.003	1
176	1	40	ASP	C	C	174.16	0	1
177	1	40	ASP	CA	C	52.962	0.023	1
178	1	40	ASP	CB	C	43.209	0.202	1
179	1	40	ASP	N	N	125.596	0	1
180	1	41	GLY	H	H	8.014	0.002	1
181	1	41	GLY	C	C	171.98	0	1
182	1	41	GLY	CA	C	45.498	0.181	1
183	1	41	GLY	N	N	107.569	0.032	1
184	1	42	GLU	H	H	8.467	0.003	1
185	1	42	GLU	C	C	176.966	0	1
186	1	42	GLU	CA	C	55.689	0.182	1
187	1	42	GLU	CB	C	31.307	0.017	1
188	1	42	GLU	N	N	120.746	0	1
189	1	43	TRP	H	H	9.35	0.004	1
190	1	43	TRP	C	C	176.994	0	1
191	1	43	TRP	CA	C	58.099	0.073	1
192	1	43	TRP	CB	C	30.348	0.065	1
193	1	43	TRP	N	N	128.31	0	1
194	1	44	THR	H	H	9.293	0.005	1
195	1	44	THR	C	C	172.583	0	1
196	1	44	THR	CA	C	60.757	0.01	1
197	1	44	THR	CB	C	72.454	0.073	1
198	1	44	THR	N	N	114.98	0	1
199	1	45	TYR	H	H	8.624	0.004	1
200	1	45	TYR	C	C	173.46	0	1
201	1	45	TYR	CA	C	56.894	0.072	1
202	1	45	TYR	CB	C	41.58	0.154	1
203	1	45	TYR	N	N	121.563	0	1
204	1	46	ASP	H	H	7.609	0.006	1
205	1	46	ASP	C	C	174.583	0	1
206	1	46	ASP	CA	C	51.826	0.045	1
207	1	46	ASP	CB	C	43.197	0.072	1
208	1	46	ASP	N	N	128.314	0	1
209	1	47	ASP	H	H	8.53	0.003	1
210	1	47	ASP	C	C	177.815	0	1
211	1	47	ASP	CA	C	56.291	0.127	1
212	1	47	ASP	CB	C	42.019	0.011	1
213	1	47	ASP	N	N	125.049	0.013	1
214	1	48	ALA	H	H	8.236	0.007	1
215	1	48	ALA	C	C	179.815	0	1
216	1	48	ALA	CA	C	55.059	0.01	1
217	1	48	ALA	CB	C	18.184	0.065	1
218	1	48	ALA	N	N	119.733	0	1
219	1	49	THR	H	H	6.964	0.005	1
220	1	49	THR	C	C	175.487	0	1
221	1	49	THR	CA	C	60.511	0.073	1
222	1	49	THR	CB	C	70.263	0.018	1
223	1	49	THR	N	N	103.173	0	1
224	1	50	LYS	H	H	7.844	0.004	1
225	1	50	LYS	C	C	174.966	0	1
226	1	50	LYS	CA	C	56.565	0.127	1
227	1	50	LYS	CB	C	29.143	0.175	1
228	1	50	LYS	N	N	123.064	0	1
229	1	51	THR	H	H	7.4	0.006	1
230	1	51	THR	C	C	174.692	0	1
231	1	51	THR	CA	C	62.264	0.073	1
232	1	51	THR	CB	C	72.18	0.017	1
233	1	51	THR	N	N	111.31	0	1
234	1	52	PHE	H	H	10.244	0.004	1
235	1	52	PHE	C	C	174.336	0	1
236	1	52	PHE	CA	C	57.332	0.073	1
237	1	52	PHE	CB	C	42.293	0.099	1
238	1	52	PHE	N	N	131.082	0	1
239	1	53	THR	H	H	9.116	0.003	1
240	1	53	THR	C	C	172.747	0	1
241	1	53	THR	CA	C	61.552	0.072	1
242	1	53	THR	CB	C	70.729	0.1	1
243	1	53	THR	N	N	118.009	0.002	1
244	1	54	VAL	H	H	8.361	0.004	1
245	1	54	VAL	C	C	173.597	0	1
246	1	54	VAL	CA	C	59.059	0.045	1
247	1	54	VAL	CB	C	32.376	0.045	1
248	1	54	VAL	N	N	125.246	0	1
249	1	55	THR	H	H	8.459	0.003	1
250	1	55	THR	C	C	173.734	0	1
251	1	55	THR	CA	C	61.359	0.01	1
252	1	55	THR	CB	C	70.619	0.045	1
253	1	55	THR	N	N	122.95	0	1
254	1	56	ALA	H	H	8.088	0.003	1
255	1	56	ALA	C	C	181.294	0	1
256	1	56	ALA	CA	C	53.734	0	1
257	1	56	ALA	CB	C	21.516	0	1
258	1	56	ALA	N	N	134.966	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. B4, : 1 : 104 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail