BMRB: 31049

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Aib10Gly11 turn

Authors

Harmon, T.W., Horne, W.S.

Assembly

Designed miniprotein oPPalpha: Aib10Gly11 turn

Entity

1. Designed miniprotein oPPalpha: Aib10Gly11 turn (polymer, Thiol state: not present), 36 monomers, 3697.256 Da Detail

XPPKKPKKPG XGATPEKLAA YEKELAAYEK ELAAYX

Formula weight

3697.256 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 243 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	ACE	H1	H	2.090	0.000	1
2	1	2	PRO	HA	H	3.544	0.001	1
3	1	2	PRO	HB2	H	1.932	0.000	2
4	1	2	PRO	HB3	H	1.708	0.000	2
5	1	2	PRO	HG2	H	1.930	0.000	2
6	1	2	PRO	HG3	H	1.871	0.000	2
7	1	2	PRO	HD2	H	3.565	0.000	2
8	1	2	PRO	HD3	H	3.506	0.001	2
9	1	3	PRO	HA	H	4.415	0.001	1
10	1	3	PRO	HB2	H	2.326	0.000	2
11	1	3	PRO	HB3	H	1.984	0.001	2
12	1	3	PRO	HG2	H	1.738	0.000	2
13	1	3	PRO	HG3	H	1.677	0.001	2
14	1	3	PRO	HD2	H	3.230	0.001	2
15	1	3	PRO	HD3	H	3.140	0.001	2
16	1	4	LYS	H	H	8.756	0.001	1
17	1	4	LYS	HA	H	4.318	0.001	1
18	1	4	LYS	HB2	H	1.677	0.001	1
19	1	4	LYS	HB3	H	1.677	0.001	1
20	1	4	LYS	HG2	H	1.439	0.003	2
21	1	4	LYS	HG3	H	1.339	0.001	2
22	1	4	LYS	HD2	H	1.650	0.000	1
23	1	4	LYS	HD3	H	1.650	0.000	1
24	1	4	LYS	HE2	H	2.980	0.000	1
25	1	4	LYS	HE3	H	2.980	0.000	1
26	1	5	LYS	H	H	8.641	0.000	1
27	1	5	LYS	HA	H	3.127	0.002	1
28	1	5	LYS	HB2	H	1.486	0.000	2
29	1	5	LYS	HB3	H	1.264	0.000	2
30	1	5	LYS	HG2	H	1.255	0.000	2
31	1	5	LYS	HG3	H	0.643	0.000	2
32	1	5	LYS	HD2	H	1.534	0.000	1
33	1	5	LYS	HD3	H	1.534	0.000	1
34	1	6	PRO	HA	H	4.412	0.001	1
35	1	6	PRO	HB2	H	2.404	0.001	2
36	1	6	PRO	HB3	H	1.930	0.000	2
37	1	6	PRO	HG2	H	1.718	0.000	2
38	1	6	PRO	HG3	H	1.650	0.000	2
39	1	6	PRO	HD2	H	3.469	0.001	2
40	1	6	PRO	HD3	H	3.027	0.000	2
41	1	7	LYS	H	H	8.749	0.000	1
42	1	7	LYS	HA	H	4.196	0.000	1
43	1	7	LYS	HB2	H	1.671	0.001	1
44	1	7	LYS	HB3	H	1.671	0.001	1
45	1	7	LYS	HG2	H	1.419	0.000	2
46	1	7	LYS	HG3	H	1.339	0.000	2
47	1	7	LYS	HD2	H	1.648	0.000	1
48	1	7	LYS	HD3	H	1.648	0.000	1
49	1	7	LYS	HE2	H	2.975	0.000	1
50	1	7	LYS	HE3	H	2.975	0.000	1
51	1	8	LYS	H	H	8.594	0.000	1
52	1	8	LYS	HA	H	3.394	0.000	1
53	1	8	LYS	HB2	H	1.539	0.000	2
54	1	8	LYS	HB3	H	1.446	0.000	2
55	1	8	LYS	HG2	H	1.298	0.000	2
56	1	8	LYS	HG3	H	0.877	0.000	2
57	1	8	LYS	HD2	H	1.544	0.000	1
58	1	8	LYS	HD3	H	1.544	0.000	1
59	1	8	LYS	HE2	H	2.919	0.001	1
60	1	8	LYS	HE3	H	2.919	0.001	1
61	1	9	PRO	HA	H	4.284	0.000	1
62	1	9	PRO	HB2	H	2.194	0.000	2
63	1	9	PRO	HB3	H	1.700	0.000	2
64	1	9	PRO	HG2	H	1.719	0.000	2
65	1	9	PRO	HG3	H	1.684	0.000	2
66	1	9	PRO	HD2	H	3.197	0.001	2
67	1	9	PRO	HD3	H	2.781	0.000	2
68	1	10	GLY	H	H	8.394	0.000	1
69	1	10	GLY	HA2	H	4.028	0.001	2
70	1	10	GLY	HA3	H	3.683	0.000	2
71	1	11	AIB	H	H	8.486	0.001	1
72	1	11	AIB	QB1	H	1.389	0.000	2
73	1	11	AIB	QB2	H	1.503	0.000	2
74	1	12	GLY	H	H	8.599	0.000	1
75	1	12	GLY	HA2	H	3.947	0.001	2
76	1	12	GLY	HA3	H	3.833	0.001	2
77	1	13	ALA	H	H	7.622	0.001	1
78	1	13	ALA	HA	H	4.261	0.000	1
79	1	13	ALA	HB1	H	1.395	0.000	1
80	1	13	ALA	HB2	H	1.395	0.000	1
81	1	13	ALA	HB3	H	1.395	0.000	1
82	1	14	THR	H	H	7.764	0.000	1
83	1	14	THR	HA	H	4.576	0.001	1
84	1	14	THR	HB	H	4.851	0.000	1
85	1	14	THR	HG21	H	1.457	0.000	1
86	1	14	THR	HG22	H	1.457	0.000	1
87	1	14	THR	HG23	H	1.457	0.000	1
88	1	15	PRO	HA	H	4.263	0.001	1
89	1	15	PRO	HB2	H	2.435	0.000	2
90	1	15	PRO	HB3	H	1.972	0.001	2
91	1	15	PRO	HG2	H	2.263	0.001	2
92	1	15	PRO	HG3	H	2.090	0.000	2
93	1	15	PRO	HD2	H	3.989	0.002	2
94	1	15	PRO	HD3	H	3.930	0.002	2
95	1	16	GLU	H	H	9.099	0.001	1
96	1	16	GLU	HA	H	4.166	0.001	1
97	1	16	GLU	HB2	H	2.135	0.000	2
98	1	16	GLU	HB3	H	1.977	0.000	2
99	1	16	GLU	HG2	H	2.435	0.003	2
100	1	16	GLU	HG3	H	2.335	0.002	2
101	1	17	LYS	H	H	7.896	0.001	1
102	1	17	LYS	HA	H	4.242	0.001	1
103	1	17	LYS	HB2	H	2.085	0.000	2
104	1	17	LYS	HB3	H	1.868	0.000	2
105	1	17	LYS	HG2	H	1.550	0.000	2
106	1	17	LYS	HG3	H	1.526	0.000	2
107	1	17	LYS	HD2	H	1.756	0.002	1
108	1	17	LYS	HD3	H	1.756	0.002	1
109	1	17	LYS	HE2	H	3.000	0.000	1
110	1	17	LYS	HE3	H	3.000	0.000	1
111	1	18	LEU	H	H	8.386	0.001	1
112	1	18	LEU	HA	H	4.147	0.001	1
113	1	18	LEU	HB2	H	1.877	0.000	2
114	1	18	LEU	HB3	H	1.706	0.000	2
115	1	18	LEU	HG	H	1.624	0.001	1
116	1	18	LEU	HD11	H	0.829	0.000	2
117	1	18	LEU	HD12	H	0.829	0.000	2
118	1	18	LEU	HD13	H	0.829	0.000	2
119	1	18	LEU	HD21	H	0.875	0.000	2
120	1	18	LEU	HD22	H	0.875	0.000	2
121	1	18	LEU	HD23	H	0.875	0.000	2
122	1	19	ALA	H	H	8.402	0.000	1
123	1	19	ALA	HA	H	4.265	0.001	1
124	1	19	ALA	HB1	H	1.518	0.001	1
125	1	19	ALA	HB2	H	1.518	0.001	1
126	1	19	ALA	HB3	H	1.518	0.001	1
127	1	20	ALA	H	H	7.965	0.000	1
128	1	20	ALA	HA	H	4.226	0.000	1
129	1	20	ALA	HB1	H	1.598	0.000	1
130	1	20	ALA	HB2	H	1.598	0.000	1
131	1	20	ALA	HB3	H	1.598	0.000	1
132	1	21	TYR	H	H	8.017	0.000	1
133	1	21	TYR	HA	H	4.472	0.000	1
134	1	21	TYR	HB2	H	3.233	0.001	2
135	1	21	TYR	HB3	H	3.207	0.000	2
136	1	21	TYR	HD1	H	7.161	0.000	1
137	1	21	TYR	HD2	H	7.161	0.000	1
138	1	21	TYR	HE1	H	6.555	0.000	1
139	1	21	TYR	HE2	H	6.555	0.000	1
140	1	22	GLU	H	H	8.221	0.000	1
141	1	22	GLU	HA	H	3.650	0.001	1
142	1	22	GLU	HB2	H	2.156	0.000	2
143	1	22	GLU	HB3	H	2.120	0.000	2
144	1	22	GLU	HG2	H	2.562	0.001	2
145	1	22	GLU	HG3	H	2.418	0.002	2
146	1	23	LYS	H	H	7.619	0.001	1
147	1	23	LYS	HA	H	4.157	0.000	1
148	1	23	LYS	HB2	H	1.995	0.000	1
149	1	23	LYS	HB3	H	1.995	0.000	1
150	1	23	LYS	HG2	H	1.633	0.000	2
151	1	23	LYS	HG3	H	1.452	0.000	2
152	1	23	LYS	HD2	H	1.712	0.000	1
153	1	23	LYS	HD3	H	1.712	0.000	1
154	1	23	LYS	HE2	H	2.994	0.000	1
155	1	23	LYS	HE3	H	2.994	0.000	1
156	1	24	GLU	H	H	8.349	0.001	1
157	1	24	GLU	HA	H	4.087	0.000	1
158	1	24	GLU	HB2	H	2.221	0.001	2
159	1	24	GLU	HB3	H	1.992	0.000	2
160	1	24	GLU	HG2	H	2.552	0.000	2
161	1	24	GLU	HG3	H	2.248	0.000	2
162	1	25	LEU	H	H	9.223	0.000	1
163	1	25	LEU	HA	H	3.942	0.001	1
164	1	25	LEU	HB2	H	1.586	0.000	2
165	1	25	LEU	HB3	H	0.875	0.000	2
166	1	25	LEU	HG	H	1.485	0.000	1
167	1	25	LEU	HD11	H	0.891	0.000	1
168	1	25	LEU	HD12	H	0.891	0.000	1
169	1	25	LEU	HD13	H	0.891	0.000	1
170	1	25	LEU	HD21	H	0.891	0.000	1
171	1	25	LEU	HD22	H	0.891	0.000	1
172	1	25	LEU	HD23	H	0.891	0.000	1
173	1	26	ALA	H	H	7.755	0.000	1
174	1	26	ALA	HA	H	4.216	0.000	1
175	1	26	ALA	HB1	H	1.506	0.000	1
176	1	26	ALA	HB2	H	1.506	0.000	1
177	1	26	ALA	HB3	H	1.506	0.000	1
178	1	27	ALA	H	H	7.803	0.000	1
179	1	27	ALA	HA	H	4.201	0.001	1
180	1	27	ALA	HB1	H	1.557	0.001	1
181	1	27	ALA	HB2	H	1.557	0.001	1
182	1	27	ALA	HB3	H	1.557	0.001	1
183	1	28	TYR	H	H	8.302	0.001	1
184	1	28	TYR	HA	H	4.367	0.000	1
185	1	28	TYR	HB2	H	3.358	0.000	2
186	1	28	TYR	HB3	H	3.240	0.001	2
187	1	28	TYR	HD1	H	7.065	0.000	1
188	1	28	TYR	HD2	H	7.065	0.000	1
189	1	28	TYR	HE1	H	6.651	0.000	1
190	1	28	TYR	HE2	H	6.651	0.000	1
191	1	29	GLU	H	H	8.654	0.000	1
192	1	29	GLU	HA	H	3.593	0.001	1
193	1	29	GLU	HB2	H	2.091	0.000	2
194	1	29	GLU	HB3	H	2.018	0.000	2
195	1	29	GLU	HG2	H	2.638	0.000	2
196	1	29	GLU	HG3	H	2.386	0.001	2
197	1	30	LYS	H	H	7.649	0.001	1
198	1	30	LYS	HA	H	4.098	0.001	1
199	1	30	LYS	HB2	H	1.958	0.001	1
200	1	30	LYS	HB3	H	1.958	0.001	1
201	1	30	LYS	HG2	H	1.590	0.001	2
202	1	30	LYS	HG3	H	1.406	0.001	2
203	1	30	LYS	HD2	H	1.696	0.001	1
204	1	30	LYS	HD3	H	1.696	0.001	1
205	1	30	LYS	HE2	H	2.984	0.000	1
206	1	30	LYS	HE3	H	2.984	0.000	1
207	1	31	GLU	H	H	8.243	0.001	1
208	1	31	GLU	HA	H	4.059	0.001	1
209	1	31	GLU	HB2	H	2.122	0.001	2
210	1	31	GLU	HB3	H	1.989	0.000	2
211	1	31	GLU	HG2	H	2.466	0.001	2
212	1	31	GLU	HG3	H	2.244	0.000	2
213	1	32	LEU	H	H	8.989	0.000	1
214	1	32	LEU	HA	H	3.831	0.001	1
215	1	32	LEU	HB2	H	1.517	0.000	2
216	1	32	LEU	HB3	H	0.916	0.000	2
217	1	32	LEU	HG	H	1.393	0.002	1
218	1	32	LEU	HD11	H	0.831	0.001	1
219	1	32	LEU	HD12	H	0.831	0.001	1
220	1	32	LEU	HD13	H	0.831	0.001	1
221	1	32	LEU	HD21	H	0.831	0.001	1
222	1	32	LEU	HD22	H	0.831	0.001	1
223	1	32	LEU	HD23	H	0.831	0.001	1
224	1	33	ALA	H	H	7.670	0.001	1
225	1	33	ALA	HA	H	4.115	0.000	1
226	1	33	ALA	HB1	H	1.474	0.000	1
227	1	33	ALA	HB2	H	1.474	0.000	1
228	1	33	ALA	HB3	H	1.474	0.000	1
229	1	34	ALA	H	H	7.475	0.000	1
230	1	34	ALA	HA	H	4.207	0.000	1
231	1	34	ALA	HB1	H	1.456	0.002	1
232	1	34	ALA	HB2	H	1.456	0.002	1
233	1	34	ALA	HB3	H	1.456	0.002	1
234	1	35	TYR	H	H	7.919	0.000	1
235	1	35	TYR	HA	H	4.157	0.001	1
236	1	35	TYR	HB2	H	3.190	0.002	2
237	1	35	TYR	HB3	H	3.067	0.000	2
238	1	35	TYR	HD1	H	7.181	0.000	1
239	1	35	TYR	HD2	H	7.181	0.000	1
240	1	35	TYR	HE1	H	6.772	0.000	1
241	1	35	TYR	HE2	H	6.772	0.000	1
242	1	36	NH2	HN1	H	7.086	0.000	2
243	1	36	NH2	HN2	H	7.148	0.000	2

Release date

2022-10-31

Citation

Protein Backbone Alteration in Non-Hairpin β-Turns: Impacts on Tertiary Folded Structure and Folded Stability
Harmon, T.W., Horne, W.S.
Chembiochem. (2023), 24, e202300113-e202300113, PubMed 36920327 , DOI 10.1002/cbic.202300113 , Abstract

Related entities 1. Designed miniprotein oPPalpha: Aib10Gly11 turn, : 32 entities Detail

Experiments performed 3 experiments Detail