BMRB: 31051

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: deltaOrn10-11 turn

Authors

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

Assembly

Designed miniprotein oPPalpha: deltaOrn10-11 turn

Entity

1. Designed miniprotein oPPalpha: deltaOrn10-11 turn (polymer, Thiol state: not present), 35 monomers, 3669.245 Da Detail

XPPKKPKKPG XATPEKLAAY EKELAAYEKE LAAYX

Formula weight

3669.245 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 246 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	ACE	H1	H	2.092	0.000	1
2	1	2	PRO	HA	H	3.546	0.001	1
3	1	2	PRO	HB2	H	1.930	0.000	2
4	1	2	PRO	HB3	H	1.710	0.002	2
5	1	2	PRO	HG2	H	1.932	0.000	2
6	1	2	PRO	HG3	H	1.872	0.000	2
7	1	2	PRO	HD2	H	3.569	0.001	2
8	1	2	PRO	HD3	H	3.509	0.000	2
9	1	3	PRO	HA	H	4.417	0.000	1
10	1	3	PRO	HB2	H	2.326	0.001	2
11	1	3	PRO	HB3	H	1.982	0.003	2
12	1	3	PRO	HG2	H	1.758	0.001	2
13	1	3	PRO	HG3	H	1.691	0.002	2
14	1	3	PRO	HD2	H	3.244	0.002	2
15	1	3	PRO	HD3	H	3.153	0.002	2
16	1	4	LYS	H	H	8.728	0.000	1
17	1	4	LYS	HA	H	4.323	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	1.441	0.000	2
21	1	4	LYS	HG3	H	1.343	0.001	2
22	1	4	LYS	HD2	H	1.662	0.000	1
23	1	4	LYS	HD3	H	1.662	0.000	1
24	1	4	LYS	HE2	H	2.982	0.000	1
25	1	4	LYS	HE3	H	2.982	0.000	1
26	1	5	LYS	H	H	8.632	0.000	1
27	1	5	LYS	HA	H	3.133	0.001	1
28	1	5	LYS	HB2	H	1.496	0.000	2
29	1	5	LYS	HB3	H	1.285	0.002	2
30	1	5	LYS	HG2	H	1.248	0.001	2
31	1	5	LYS	HG3	H	0.687	0.002	2
32	1	5	LYS	HD2	H	1.553	0.003	1
33	1	5	LYS	HD3	H	1.553	0.003	1
34	1	5	LYS	HE2	H	2.929	0.002	1
35	1	5	LYS	HE3	H	2.929	0.002	1
36	1	6	PRO	HA	H	4.413	0.000	1
37	1	6	PRO	HB2	H	2.390	0.001	2
38	1	6	PRO	HB3	H	1.895	0.002	2
39	1	6	PRO	HG2	H	1.713	0.000	2
40	1	6	PRO	HG3	H	1.678	0.000	2
41	1	6	PRO	HD2	H	3.479	0.003	2
42	1	6	PRO	HD3	H	3.026	0.001	2
43	1	7	LYS	H	H	8.757	0.001	1
44	1	7	LYS	HA	H	4.271	0.000	1
45	1	7	LYS	HB2	H	1.680	0.001	1
46	1	7	LYS	HB3	H	1.680	0.001	1
47	1	7	LYS	HG2	H	1.431	0.000	2
48	1	7	LYS	HG3	H	1.361	0.000	2
49	1	7	LYS	HD2	H	1.657	0.000	1
50	1	7	LYS	HD3	H	1.657	0.000	1
51	1	7	LYS	HE2	H	2.976	0.000	1
52	1	7	LYS	HE3	H	2.976	0.000	1
53	1	8	LYS	H	H	8.611	0.000	1
54	1	8	LYS	HA	H	3.354	0.002	1
55	1	8	LYS	HB2	H	1.506	0.002	2
56	1	8	LYS	HB3	H	1.394	0.001	2
57	1	8	LYS	HG2	H	1.120	0.001	2
58	1	8	LYS	HG3	H	0.836	0.002	2
59	1	8	LYS	HD2	H	1.525	0.000	1
60	1	8	LYS	HD3	H	1.525	0.000	1
61	1	8	LYS	HE2	H	2.889	0.001	1
62	1	8	LYS	HE3	H	2.889	0.001	1
63	1	9	PRO	HA	H	4.319	0.001	1
64	1	9	PRO	HB2	H	2.248	0.001	2
65	1	9	PRO	HB3	H	1.817	0.000	2
66	1	9	PRO	HG2	H	1.816	0.000	2
67	1	9	PRO	HG3	H	1.779	0.001	2
68	1	9	PRO	HD2	H	3.357	0.002	2
69	1	9	PRO	HD3	H	2.949	0.000	2
70	1	10	GLY	H	H	8.372	0.001	1
71	1	10	GLY	HA2	H	4.050	0.001	2
72	1	10	GLY	HA3	H	3.662	0.000	2
73	1	11	ORN	HA	H	3.687	0.002	1
74	1	11	ORN	HB2	H	1.752	0.000	1
75	1	11	ORN	HB3	H	1.752	0.000	1
76	1	11	ORN	HG2	H	1.507	0.002	2
77	1	11	ORN	HG3	H	1.552	0.002	2
78	1	11	ORN	HD2	H	3.040	0.000	2
79	1	11	ORN	HD3	H	3.304	0.001	2
80	1	11	ORN	HE1	H	8.087	0.000	1
81	1	12	ALA	HA	H	4.383	0.000	1
82	1	12	ALA	HB1	H	1.323	0.000	1
83	1	12	ALA	HB2	H	1.323	0.000	1
84	1	12	ALA	HB3	H	1.323	0.000	1
85	1	13	THR	H	H	7.757	0.000	1
86	1	13	THR	HA	H	4.675	0.000	1
87	1	13	THR	HB	H	4.760	0.000	1
88	1	13	THR	HG21	H	1.396	0.000	1
89	1	13	THR	HG22	H	1.396	0.000	1
90	1	13	THR	HG23	H	1.396	0.000	1
91	1	14	PRO	HA	H	4.274	0.001	1
92	1	14	PRO	HB2	H	2.421	0.001	2
93	1	14	PRO	HB3	H	1.977	0.002	2
94	1	14	PRO	HG2	H	2.252	0.000	2
95	1	14	PRO	HG3	H	2.073	0.001	2
96	1	14	PRO	HD2	H	3.950	0.002	1
97	1	14	PRO	HD3	H	3.950	0.002	1
98	1	15	GLU	H	H	9.149	0.000	1
99	1	15	GLU	HA	H	4.159	0.002	1
100	1	15	GLU	HB2	H	2.125	0.000	2
101	1	15	GLU	HB3	H	1.992	0.000	2
102	1	15	GLU	HG2	H	2.439	0.000	2
103	1	15	GLU	HG3	H	2.333	0.000	2
104	1	16	LYS	H	H	7.944	0.001	1
105	1	16	LYS	HA	H	4.234	0.001	1
106	1	16	LYS	HB2	H	2.032	0.000	2
107	1	16	LYS	HB3	H	1.806	0.001	2
108	1	16	LYS	HG2	H	1.596	0.001	2
109	1	16	LYS	HG3	H	1.502	0.001	2
110	1	16	LYS	HD2	H	1.760	0.002	1
111	1	16	LYS	HD3	H	1.760	0.002	1
112	1	16	LYS	HE2	H	3.019	0.003	1
113	1	16	LYS	HE3	H	3.019	0.003	1
114	1	17	LEU	H	H	8.453	0.000	1
115	1	17	LEU	HA	H	4.203	0.001	1
116	1	17	LEU	HB2	H	1.842	0.001	2
117	1	17	LEU	HB3	H	1.732	0.002	2
118	1	17	LEU	HG	H	1.676	0.002	1
119	1	17	LEU	HD11	H	0.857	0.001	2
120	1	17	LEU	HD12	H	0.857	0.001	2
121	1	17	LEU	HD13	H	0.857	0.001	2
122	1	17	LEU	HD21	H	0.907	0.001	2
123	1	17	LEU	HD22	H	0.907	0.001	2
124	1	17	LEU	HD23	H	0.907	0.001	2
125	1	18	ALA	H	H	8.398	0.000	1
126	1	18	ALA	HA	H	4.260	0.000	1
127	1	18	ALA	HB1	H	1.517	0.000	1
128	1	18	ALA	HB2	H	1.517	0.000	1
129	1	18	ALA	HB3	H	1.517	0.000	1
130	1	19	ALA	H	H	7.909	0.001	1
131	1	19	ALA	HA	H	4.226	0.001	1
132	1	19	ALA	HB1	H	1.594	0.000	1
133	1	19	ALA	HB2	H	1.594	0.000	1
134	1	19	ALA	HB3	H	1.594	0.000	1
135	1	20	TYR	H	H	8.003	0.000	1
136	1	20	TYR	HA	H	4.481	0.001	1
137	1	20	TYR	HB2	H	3.238	0.000	2
138	1	20	TYR	HB3	H	3.213	0.000	2
139	1	20	TYR	HD1	H	7.161	0.001	1
140	1	20	TYR	HD2	H	7.161	0.001	1
141	1	20	TYR	HE1	H	6.562	0.000	1
142	1	20	TYR	HE2	H	6.562	0.000	1
143	1	21	GLU	H	H	8.414	0.001	1
144	1	21	GLU	HA	H	3.653	0.002	1
145	1	21	GLU	HB2	H	2.152	0.000	2
146	1	21	GLU	HB3	H	2.095	0.000	2
147	1	21	GLU	HG2	H	2.570	0.000	2
148	1	21	GLU	HG3	H	2.396	0.000	2
149	1	22	LYS	H	H	7.700	0.002	1
150	1	22	LYS	HA	H	4.157	0.001	1
151	1	22	LYS	HB2	H	1.994	0.000	1
152	1	22	LYS	HB3	H	1.994	0.000	1
153	1	22	LYS	HG2	H	1.637	0.000	2
154	1	22	LYS	HG3	H	1.451	0.000	2
155	1	22	LYS	HD2	H	1.718	0.001	1
156	1	22	LYS	HD3	H	1.718	0.001	1
157	1	22	LYS	HE2	H	2.995	0.000	1
158	1	22	LYS	HE3	H	2.995	0.000	1
159	1	23	GLU	H	H	8.262	0.000	1
160	1	23	GLU	HA	H	4.102	0.001	1
161	1	23	GLU	HB2	H	2.221	0.002	2
162	1	23	GLU	HB3	H	1.999	0.001	2
163	1	23	GLU	HG2	H	2.550	0.001	2
164	1	23	GLU	HG3	H	2.250	0.006	2
165	1	24	LEU	H	H	9.147	0.001	1
166	1	24	LEU	HA	H	3.953	0.001	1
167	1	24	LEU	HB2	H	1.589	0.000	2
168	1	24	LEU	HB3	H	0.964	0.000	2
169	1	24	LEU	HG	H	1.466	0.004	1
170	1	24	LEU	HD11	H	0.865	0.001	1
171	1	24	LEU	HD12	H	0.865	0.001	1
172	1	24	LEU	HD13	H	0.865	0.001	1
173	1	24	LEU	HD21	H	0.865	0.001	1
174	1	24	LEU	HD22	H	0.865	0.001	1
175	1	24	LEU	HD23	H	0.865	0.001	1
176	1	25	ALA	H	H	7.838	0.002	1
177	1	25	ALA	HA	H	4.217	0.002	1
178	1	25	ALA	HB1	H	1.507	0.000	1
179	1	25	ALA	HB2	H	1.507	0.000	1
180	1	25	ALA	HB3	H	1.507	0.000	1
181	1	26	ALA	H	H	7.809	0.001	1
182	1	26	ALA	HA	H	4.204	0.000	1
183	1	26	ALA	HB1	H	1.558	0.001	1
184	1	26	ALA	HB2	H	1.558	0.001	1
185	1	26	ALA	HB3	H	1.558	0.001	1
186	1	27	TYR	H	H	8.283	0.001	1
187	1	27	TYR	HA	H	4.380	0.000	1
188	1	27	TYR	HB2	H	3.346	0.001	2
189	1	27	TYR	HB3	H	3.241	0.000	2
190	1	27	TYR	HD1	H	7.072	0.000	1
191	1	27	TYR	HD2	H	7.072	0.000	1
192	1	27	TYR	HE1	H	6.656	0.000	1
193	1	27	TYR	HE2	H	6.656	0.000	1
194	1	28	GLU	H	H	8.640	0.003	1
195	1	28	GLU	HA	H	3.595	0.002	1
196	1	28	GLU	HB2	H	2.093	0.001	2
197	1	28	GLU	HB3	H	2.020	0.000	2
198	1	28	GLU	HG2	H	2.629	0.000	2
199	1	28	GLU	HG3	H	2.376	0.000	2
200	1	29	LYS	H	H	7.665	0.002	1
201	1	29	LYS	HA	H	4.099	0.001	1
202	1	29	LYS	HB2	H	1.957	0.000	1
203	1	29	LYS	HB3	H	1.957	0.000	1
204	1	29	LYS	HG2	H	1.592	0.000	2
205	1	29	LYS	HG3	H	1.407	0.000	2
206	1	29	LYS	HD2	H	1.700	0.000	1
207	1	29	LYS	HD3	H	1.700	0.000	1
208	1	29	LYS	HE2	H	2.985	0.000	1
209	1	29	LYS	HE3	H	2.985	0.000	1
210	1	30	GLU	H	H	8.221	0.001	1
211	1	30	GLU	HA	H	4.064	0.001	1
212	1	30	GLU	HB2	H	2.123	0.001	2
213	1	30	GLU	HB3	H	1.999	0.001	2
214	1	30	GLU	HG2	H	2.462	0.001	2
215	1	30	GLU	HG3	H	2.248	0.001	2
216	1	31	LEU	H	H	8.961	0.001	1
217	1	31	LEU	HA	H	3.841	0.001	1
218	1	31	LEU	HB2	H	1.518	0.000	2
219	1	31	LEU	HB3	H	0.944	0.000	2
220	1	31	LEU	HG	H	1.395	0.002	1
221	1	31	LEU	HD11	H	0.831	0.001	1
222	1	31	LEU	HD12	H	0.831	0.001	1
223	1	31	LEU	HD13	H	0.831	0.001	1
224	1	31	LEU	HD21	H	0.831	0.001	1
225	1	31	LEU	HD22	H	0.831	0.001	1
226	1	31	LEU	HD23	H	0.831	0.001	1
227	1	32	ALA	H	H	7.689	0.001	1
228	1	32	ALA	HA	H	4.116	0.002	1
229	1	32	ALA	HB1	H	1.472	0.000	1
230	1	32	ALA	HB2	H	1.472	0.000	1
231	1	32	ALA	HB3	H	1.472	0.000	1
232	1	33	ALA	H	H	7.495	0.000	1
233	1	33	ALA	HA	H	4.204	0.000	1
234	1	33	ALA	HB1	H	1.454	0.000	1
235	1	33	ALA	HB2	H	1.454	0.000	1
236	1	33	ALA	HB3	H	1.454	0.000	1
237	1	34	TYR	H	H	7.921	0.000	1
238	1	34	TYR	HA	H	4.164	0.002	1
239	1	34	TYR	HB2	H	3.183	0.000	2
240	1	34	TYR	HB3	H	3.072	0.001	2
241	1	34	TYR	HD1	H	7.183	0.000	1
242	1	34	TYR	HD2	H	7.183	0.000	1
243	1	34	TYR	HE1	H	6.777	0.001	1
244	1	34	TYR	HE2	H	6.777	0.001	1
245	1	35	NH2	HN1	H	7.101	0.000	2
246	1	35	NH2	HN2	H	7.165	0.000	2

Release date

2022-10-20

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: deltaOrn10-11 turn, : 7 entities Detail

Experiments performed 3 experiments Detail