BMRB: 31052

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Aib10Asn11 turn

Authors

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

Assembly

Designed miniprotein oPPalpha: Aib10Asn11 turn

Entity

1. Designed miniprotein oPPalpha: Aib10Asn11 turn (polymer, Thiol state: not present), 36 monomers, 3754.307 Da Detail

XPPKKPKKPG XNATPEKLAA YEKELAAYEK ELAAYX

Formula weight

3754.307 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 252 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	2.092	0.000	1
2	1	2	PRO	HA	H	3.526	0.000	1
3	1	2	PRO	HB2	H	1.707	0.001	2
4	1	2	PRO	HB3	H	1.924	0.000	2
5	1	2	PRO	HG2	H	1.871	0.000	2
6	1	2	PRO	HG3	H	1.925	0.000	2
7	1	2	PRO	HD2	H	3.507	0.000	2
8	1	2	PRO	HD3	H	3.567	0.001	2
9	1	3	PRO	HA	H	4.413	0.002	1
10	1	3	PRO	HB2	H	1.981	0.000	2
11	1	3	PRO	HB3	H	2.322	0.001	2
12	1	3	PRO	HG2	H	1.669	0.000	2
13	1	3	PRO	HG3	H	1.746	0.000	2
14	1	3	PRO	HD2	H	3.137	0.000	2
15	1	3	PRO	HD3	H	3.223	0.001	2
16	1	4	LYS	H	H	8.747	0.001	1
17	1	4	LYS	HA	H	4.324	0.002	1
18	1	4	LYS	HB2	H	1.681	0.001	1
19	1	4	LYS	HB3	H	1.681	0.001	1
20	1	4	LYS	HG2	H	1.341	0.001	2
21	1	4	LYS	HG3	H	1.437	0.003	2
22	1	4	LYS	HD2	H	1.657	0.000	1
23	1	4	LYS	HD3	H	1.657	0.000	1
24	1	4	LYS	HE2	H	2.980	0.001	1
25	1	4	LYS	HE3	H	2.980	0.001	1
26	1	5	LYS	H	H	8.643	0.001	1
27	1	5	LYS	HA	H	3.131	0.001	1
28	1	5	LYS	HB2	H	1.486	0.000	2
29	1	5	LYS	HB3	H	1.546	0.000	2
30	1	5	LYS	HG2	H	0.657	0.002	2
31	1	5	LYS	HG3	H	1.255	0.000	2
32	1	5	LYS	HD2	H	1.546	0.000	1
33	1	5	LYS	HD3	H	1.546	0.000	1
34	1	5	LYS	HE2	H	2.918	0.000	1
35	1	5	LYS	HE3	H	2.918	0.000	1
36	1	6	PRO	HA	H	4.408	0.000	1
37	1	6	PRO	HB2	H	1.928	0.001	2
38	1	6	PRO	HB3	H	2.401	0.002	2
39	1	6	PRO	HG2	H	1.642	0.000	2
40	1	6	PRO	HG3	H	1.714	0.000	2
41	1	6	PRO	HD2	H	3.026	0.000	2
42	1	6	PRO	HD3	H	3.458	0.001	2
43	1	7	LYS	H	H	8.733	0.000	1
44	1	7	LYS	HA	H	4.190	0.001	1
45	1	7	LYS	HB2	H	1.680	0.002	1
46	1	7	LYS	HB3	H	1.680	0.002	1
47	1	7	LYS	HG2	H	1.360	0.002	2
48	1	7	LYS	HG3	H	1.424	0.000	2
49	1	7	LYS	HD2	H	1.652	0.000	1
50	1	7	LYS	HD3	H	1.652	0.000	1
51	1	7	LYS	HE2	H	2.981	0.000	1
52	1	7	LYS	HE3	H	2.981	0.000	1
53	1	8	LYS	H	H	8.565	0.001	1
54	1	8	LYS	HA	H	3.470	0.001	1
55	1	8	LYS	HB2	H	1.485	0.000	2
56	1	8	LYS	HB3	H	1.555	0.001	2
57	1	8	LYS	HG2	H	0.968	0.000	2
58	1	8	LYS	HG3	H	1.330	0.000	2
59	1	8	LYS	HD2	H	1.560	0.000	1
60	1	8	LYS	HD3	H	1.560	0.000	1
61	1	8	LYS	HE2	H	2.928	0.001	1
62	1	8	LYS	HE3	H	2.928	0.001	1
63	1	9	PRO	HA	H	4.317	0.000	1
64	1	9	PRO	HB2	H	1.727	0.004	2
65	1	9	PRO	HB3	H	2.178	0.000	2
66	1	9	PRO	HG2	H	1.672	0.004	1
67	1	9	PRO	HG3	H	1.672	0.004	1
68	1	9	PRO	HD2	H	2.773	0.001	2
69	1	9	PRO	HD3	H	3.055	0.001	2
70	1	10	GLY	H	H	8.412	0.000	1
71	1	10	GLY	HA2	H	3.768	0.001	2
72	1	10	GLY	HA3	H	4.019	0.001	2
73	1	11	AIB	H	H	8.459	0.000	1
74	1	11	AIB	HB11	H	1.382	0.000	2
75	1	11	AIB	HB12	H	1.382	0.000	2
76	1	11	AIB	HB13	H	1.382	0.000	2
77	1	11	AIB	HB21	H	1.438	0.000	2
78	1	11	AIB	HB22	H	1.438	0.000	2
79	1	11	AIB	HB23	H	1.438	0.000	2
80	1	12	ASN	H	H	8.412	0.001	1
81	1	12	ASN	HA	H	4.773	0.000	1
82	1	12	ASN	HB2	H	2.807	0.002	2
83	1	12	ASN	HB3	H	2.883	0.002	2
84	1	12	ASN	HD21	H	7.031	0.000	2
85	1	12	ASN	HD22	H	7.719	0.000	2
86	1	13	ALA	H	H	7.667	0.000	1
87	1	13	ALA	HA	H	4.243	0.000	1
88	1	13	ALA	HB1	H	1.399	0.000	1
89	1	13	ALA	HB2	H	1.399	0.000	1
90	1	13	ALA	HB3	H	1.399	0.000	1
91	1	14	THR	H	H	7.733	0.001	1
92	1	14	THR	HA	H	4.579	0.000	1
93	1	14	THR	HB	H	4.843	0.000	1
94	1	14	THR	HG21	H	1.456	0.000	1
95	1	14	THR	HG22	H	1.456	0.000	1
96	1	14	THR	HG23	H	1.456	0.000	1
97	1	15	PRO	HA	H	4.260	0.000	1
98	1	15	PRO	HB2	H	1.968	0.002	2
99	1	15	PRO	HB3	H	2.432	0.001	2
100	1	15	PRO	HG2	H	2.091	0.000	2
101	1	15	PRO	HG3	H	2.264	0.001	2
102	1	15	PRO	HD2	H	3.930	0.002	2
103	1	15	PRO	HD3	H	3.987	0.000	2
104	1	16	GLU	H	H	9.091	0.000	1
105	1	16	GLU	HA	H	4.160	0.001	1
106	1	16	GLU	HB2	H	1.973	0.000	2
107	1	16	GLU	HB3	H	2.135	0.000	2
108	1	16	GLU	HG2	H	2.336	0.000	2
109	1	16	GLU	HG3	H	2.438	0.000	2
110	1	17	LYS	H	H	7.895	0.000	1
111	1	17	LYS	HA	H	4.245	0.001	1
112	1	17	LYS	HB2	H	1.874	0.001	2
113	1	17	LYS	HB3	H	2.081	0.002	2
114	1	17	LYS	HG2	H	1.549	0.000	1
115	1	17	LYS	HG3	H	1.549	0.000	1
116	1	17	LYS	HD2	H	1.764	0.000	1
117	1	17	LYS	HD3	H	1.764	0.000	1
118	1	17	LYS	HE2	H	3.003	0.000	1
119	1	17	LYS	HE3	H	3.003	0.000	1
120	1	18	LEU	H	H	8.417	0.001	1
121	1	18	LEU	HA	H	4.146	0.001	1
122	1	18	LEU	HB2	H	1.693	0.000	2
123	1	18	LEU	HB3	H	1.866	0.001	2
124	1	18	LEU	HG	H	1.626	0.001	1
125	1	18	LEU	HD11	H	0.840	0.000	2
126	1	18	LEU	HD12	H	0.840	0.000	2
127	1	18	LEU	HD13	H	0.840	0.000	2
128	1	18	LEU	HD21	H	0.881	0.000	2
129	1	18	LEU	HD22	H	0.881	0.000	2
130	1	18	LEU	HD23	H	0.881	0.000	2
131	1	19	ALA	H	H	8.368	0.000	1
132	1	19	ALA	HA	H	4.263	0.000	1
133	1	19	ALA	HB1	H	1.517	0.000	1
134	1	19	ALA	HB2	H	1.517	0.000	1
135	1	19	ALA	HB3	H	1.517	0.000	1
136	1	20	ALA	H	H	7.959	0.000	1
137	1	20	ALA	HA	H	4.224	0.003	1
138	1	20	ALA	HB1	H	1.598	0.000	1
139	1	20	ALA	HB2	H	1.598	0.000	1
140	1	20	ALA	HB3	H	1.598	0.000	1
141	1	21	TYR	H	H	8.073	0.000	1
142	1	21	TYR	HA	H	4.471	0.000	1
143	1	21	TYR	HB2	H	3.207	0.000	2
144	1	21	TYR	HB3	H	3.239	0.002	2
145	1	21	TYR	HD1	H	7.156	0.000	1
146	1	21	TYR	HD2	H	7.156	0.000	1
147	1	21	TYR	HE1	H	6.564	0.000	1
148	1	21	TYR	HE2	H	6.564	0.000	1
149	1	22	GLU	H	H	8.245	0.000	1
150	1	22	GLU	HA	H	3.656	0.001	1
151	1	22	GLU	HB2	H	2.115	0.000	2
152	1	22	GLU	HB3	H	2.158	0.000	2
153	1	22	GLU	HG2	H	2.404	0.000	2
154	1	22	GLU	HG3	H	2.566	0.000	2
155	1	23	LYS	H	H	7.609	0.001	1
156	1	23	LYS	HA	H	4.156	0.002	1
157	1	23	LYS	HB2	H	1.994	0.002	1
158	1	23	LYS	HB3	H	1.994	0.002	1
159	1	23	LYS	HG2	H	1.454	0.002	2
160	1	23	LYS	HG3	H	1.637	0.001	2
161	1	23	LYS	HD2	H	1.716	0.000	1
162	1	23	LYS	HD3	H	1.716	0.000	1
163	1	23	LYS	HE2	H	2.995	0.000	1
164	1	23	LYS	HE3	H	2.995	0.000	1
165	1	24	GLU	H	H	8.363	0.001	1
166	1	24	GLU	HA	H	4.087	0.001	1
167	1	24	GLU	HB2	H	1.989	0.002	2
168	1	24	GLU	HB3	H	2.214	0.000	2
169	1	24	GLU	HG2	H	2.240	0.000	2
170	1	24	GLU	HG3	H	2.552	0.001	2
171	1	25	LEU	H	H	9.237	0.000	1
172	1	25	LEU	HA	H	3.943	0.001	1
173	1	25	LEU	HB2	H	0.882	0.000	2
174	1	25	LEU	HB3	H	1.580	0.000	2
175	1	25	LEU	HG	H	1.478	0.001	1
176	1	25	LEU	HD11	H	0.863	0.000	2
177	1	25	LEU	HD12	H	0.863	0.000	2
178	1	25	LEU	HD13	H	0.863	0.000	2
179	1	25	LEU	HD21	H	0.879	0.000	2
180	1	25	LEU	HD22	H	0.879	0.000	2
181	1	25	LEU	HD23	H	0.879	0.000	2
182	1	26	ALA	H	H	7.746	0.000	1
183	1	26	ALA	HA	H	4.214	0.000	1
184	1	26	ALA	HB1	H	1.506	0.001	1
185	1	26	ALA	HB2	H	1.506	0.001	1
186	1	26	ALA	HB3	H	1.506	0.001	1
187	1	27	ALA	H	H	7.806	0.000	1
188	1	27	ALA	HA	H	4.200	0.001	1
189	1	27	ALA	HB1	H	1.555	0.001	1
190	1	27	ALA	HB2	H	1.555	0.001	1
191	1	27	ALA	HB3	H	1.555	0.001	1
192	1	28	TYR	H	H	8.306	0.000	1
193	1	28	TYR	HA	H	4.366	0.001	1
194	1	28	TYR	HB2	H	3.240	0.001	2
195	1	28	TYR	HB3	H	3.353	0.001	2
196	1	28	TYR	HD1	H	7.063	0.000	1
197	1	28	TYR	HD2	H	7.063	0.000	1
198	1	28	TYR	HE1	H	6.649	0.000	1
199	1	28	TYR	HE2	H	6.649	0.000	1
200	1	29	GLU	H	H	8.655	0.000	1
201	1	29	GLU	HA	H	3.589	0.001	1
202	1	29	GLU	HB2	H	2.018	0.000	2
203	1	29	GLU	HB3	H	2.093	0.000	2
204	1	29	GLU	HG2	H	2.381	0.000	2
205	1	29	GLU	HG3	H	2.636	0.000	2
206	1	30	LYS	H	H	7.651	0.001	1
207	1	30	LYS	HA	H	4.098	0.001	1
208	1	30	LYS	HB2	H	1.958	0.001	1
209	1	30	LYS	HB3	H	1.958	0.001	1
210	1	30	LYS	HG2	H	1.406	0.000	2
211	1	30	LYS	HG3	H	1.590	0.002	2
212	1	30	LYS	HD2	H	1.699	0.000	1
213	1	30	LYS	HD3	H	1.699	0.000	1
214	1	30	LYS	HE2	H	2.984	0.000	1
215	1	30	LYS	HE3	H	2.984	0.000	1
216	1	31	GLU	H	H	8.247	0.000	1
217	1	31	GLU	HA	H	4.062	0.000	1
218	1	31	GLU	HB2	H	1.985	0.000	2
219	1	31	GLU	HB3	H	2.121	0.000	2
220	1	31	GLU	HG2	H	2.245	0.000	2
221	1	31	GLU	HG3	H	2.465	0.000	2
222	1	32	LEU	H	H	9.002	0.000	1
223	1	32	LEU	HA	H	3.830	0.001	1
224	1	32	LEU	HB2	H	0.913	0.000	2
225	1	32	LEU	HB3	H	1.521	0.000	2
226	1	32	LEU	HG	H	1.395	0.003	1
227	1	32	LEU	HD11	H	0.832	0.001	1
228	1	32	LEU	HD12	H	0.832	0.001	1
229	1	32	LEU	HD13	H	0.832	0.001	1
230	1	32	LEU	HD21	H	0.832	0.001	1
231	1	32	LEU	HD22	H	0.832	0.001	1
232	1	32	LEU	HD23	H	0.832	0.001	1
233	1	33	ALA	H	H	7.673	0.000	1
234	1	33	ALA	HA	H	4.115	0.001	1
235	1	33	ALA	HB1	H	1.474	0.000	1
236	1	33	ALA	HB2	H	1.474	0.000	1
237	1	33	ALA	HB3	H	1.474	0.000	1
238	1	34	ALA	H	H	7.476	0.001	1
239	1	34	ALA	HA	H	4.205	0.000	1
240	1	34	ALA	HB1	H	1.457	0.001	1
241	1	34	ALA	HB2	H	1.457	0.001	1
242	1	34	ALA	HB3	H	1.457	0.001	1
243	1	35	TYR	H	H	7.926	0.000	1
244	1	35	TYR	HA	H	4.154	0.000	1
245	1	35	TYR	HB2	H	3.063	0.000	2
246	1	35	TYR	HB3	H	3.191	0.001	2
247	1	35	TYR	HD1	H	7.181	0.000	1
248	1	35	TYR	HD2	H	7.181	0.000	1
249	1	35	TYR	HE1	H	6.773	0.000	1
250	1	35	TYR	HE2	H	6.773	0.000	1
251	1	36	NH2	HN1	H	7.090	0.000	2
252	1	36	NH2	HN2	H	7.151	0.000	2

Release date

2022-10-16

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: Aib10Asn11 turn, : 35 entities Detail

Experiments performed 3 experiments Detail