BMRB: 31072

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Iva10Asn11 turn

Authors

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

Assembly

Designed miniprotein oPPalpha: DPro10Pro11 turn

Entity

1. Designed miniprotein oPPalpha: DPro10Pro11 turn (polymer, Thiol state: not present), 36 monomers, 3768.333 Da Detail

XPPKKPKKPG XNATPEKLAA YEKELAAYEK ELAAYX

Formula weight

3768.333 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 250 assignments Detail

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• 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	3.519	0.000	1
3	1	2	PRO	HB2	H	1.925	0.000	2
4	1	2	PRO	HB3	H	1.708	0.001	2
5	1	2	PRO	HG2	H	1.930	0.000	2
6	1	2	PRO	HG3	H	1.872	0.000	2
7	1	2	PRO	HD2	H	3.567	0.001	2
8	1	2	PRO	HD3	H	3.505	0.000	2
9	1	3	PRO	HA	H	4.412	0.001	1
10	1	3	PRO	HB2	H	2.321	0.000	2
11	1	3	PRO	HB3	H	1.983	0.001	2
12	1	3	PRO	HG2	H	1.741	0.001	2
13	1	3	PRO	HG3	H	1.668	0.000	2
14	1	3	PRO	HD2	H	3.220	0.001	2
15	1	3	PRO	HD3	H	3.136	0.001	2
16	1	4	LYS	H	H	8.741	0.001	1
17	1	4	LYS	HA	H	4.325	0.001	1
18	1	4	LYS	HB2	H	1.678	0.000	1
19	1	4	LYS	HB3	H	1.678	0.000	1
20	1	4	LYS	HG2	H	1.427	0.005	2
21	1	4	LYS	HG3	H	1.341	0.001	2
22	1	4	LYS	HD2	H	1.661	0.000	1
23	1	4	LYS	HD3	H	1.661	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	8.644	0.000	1
27	1	5	LYS	HA	H	3.129	0.002	1
28	1	5	LYS	HB2	H	1.546	0.000	2
29	1	5	LYS	HB3	H	1.486	0.000	2
30	1	5	LYS	HG2	H	1.256	0.000	2
31	1	5	LYS	HG3	H	0.661	0.006	2
32	1	5	LYS	HD2	H	1.563	0.000	1
33	1	5	LYS	HD3	H	1.563	0.000	1
34	1	5	LYS	HE2	H	2.920	0.003	1
35	1	5	LYS	HE3	H	2.920	0.003	1
36	1	6	PRO	HA	H	4.407	0.001	1
37	1	6	PRO	HB2	H	2.400	0.001	2
38	1	6	PRO	HB3	H	1.930	0.001	2
39	1	6	PRO	HG2	H	1.715	0.000	2
40	1	6	PRO	HG3	H	1.647	0.000	2
41	1	6	PRO	HD2	H	3.453	0.001	2
42	1	6	PRO	HD3	H	3.025	0.001	2
43	1	7	LYS	H	H	8.728	0.000	1
44	1	7	LYS	HA	H	4.188	0.001	1
45	1	7	LYS	HB2	H	1.683	0.000	1
46	1	7	LYS	HB3	H	1.683	0.000	1
47	1	7	LYS	HG2	H	1.429	0.000	2
48	1	7	LYS	HG3	H	1.358	0.000	2
49	1	7	LYS	HD2	H	1.670	0.000	1
50	1	7	LYS	HD3	H	1.670	0.000	1
51	1	7	LYS	HE2	H	2.983	0.000	1
52	1	7	LYS	HE3	H	2.983	0.000	1
53	1	8	LYS	H	H	8.561	0.000	1
54	1	8	LYS	HA	H	3.503	0.002	1
55	1	8	LYS	HB2	H	1.568	0.000	2
56	1	8	LYS	HB3	H	1.501	0.000	2
57	1	8	LYS	HG2	H	1.349	0.001	2
58	1	8	LYS	HG3	H	0.996	0.000	2
59	1	8	LYS	HD2	H	1.570	0.000	1
60	1	8	LYS	HD3	H	1.570	0.000	1
61	1	8	LYS	HE2	H	2.933	0.000	1
62	1	8	LYS	HE3	H	2.933	0.000	1
63	1	9	PRO	HA	H	4.327	0.001	1
64	1	9	PRO	HB2	H	2.175	0.001	2
65	1	9	PRO	HB3	H	1.730	0.000	2
66	1	9	PRO	HG2	H	1.663	0.000	1
67	1	9	PRO	HG3	H	1.663	0.000	1
68	1	9	PRO	HD2	H	3.015	0.001	2
69	1	9	PRO	HD3	H	2.761	0.002	2
70	1	10	GLY	H	H	8.429	0.000	1
71	1	10	GLY	HA2	H	4.003	0.001	2
72	1	10	GLY	HA3	H	3.803	0.001	2
73	1	11	6ZS	H1	H	0.823	0.001	1
74	1	11	6ZS	H4	H	8.307	0.000	1
75	1	11	6ZS	H7	H	1.411	0.000	1
76	1	11	6ZS	H10	H	1.697	0.000	2
77	1	11	6ZS	H11	H	1.736	0.000	2
78	1	12	ASN	H	H	8.425	0.000	1
79	1	12	ASN	HA	H	4.871	0.000	1
80	1	12	ASN	HB2	H	2.922	0.000	2
81	1	12	ASN	HB3	H	2.762	0.000	2
82	1	12	ASN	HD21	H	7.060	0.000	2
83	1	12	ASN	HD22	H	7.731	0.000	2
84	1	13	ALA	H	H	7.758	0.001	1
85	1	13	ALA	HA	H	4.250	0.000	1
86	1	13	ALA	HB1	H	1.418	0.001	1
87	1	13	ALA	HB2	H	1.418	0.001	1
88	1	13	ALA	HB3	H	1.418	0.001	1
89	1	14	THR	H	H	7.737	0.000	1
90	1	14	THR	HA	H	4.578	0.001	1
91	1	14	THR	HB	H	4.845	0.001	1
92	1	14	THR	HG21	H	1.458	0.000	1
93	1	14	THR	HG22	H	1.458	0.000	1
94	1	14	THR	HG23	H	1.458	0.000	1
95	1	15	PRO	HA	H	4.260	0.001	1
96	1	15	PRO	HB2	H	2.433	0.000	2
97	1	15	PRO	HB3	H	1.971	0.002	2
98	1	15	PRO	HG2	H	2.265	0.001	2
99	1	15	PRO	HG3	H	2.091	0.000	2
100	1	15	PRO	HD2	H	3.988	0.001	2
101	1	15	PRO	HD3	H	3.931	0.002	2
102	1	16	GLU	H	H	9.084	0.000	1
103	1	16	GLU	HA	H	4.157	0.001	1
104	1	16	GLU	HB2	H	2.136	0.001	2
105	1	16	GLU	HB3	H	1.973	0.000	2
106	1	16	GLU	HG2	H	2.441	0.000	2
107	1	16	GLU	HG3	H	2.331	0.000	2
108	1	17	LYS	H	H	7.900	0.001	1
109	1	17	LYS	HA	H	4.248	0.001	1
110	1	17	LYS	HB2	H	2.084	0.002	2
111	1	17	LYS	HB3	H	1.885	0.000	2
112	1	17	LYS	HG2	H	1.550	0.000	1
113	1	17	LYS	HG3	H	1.550	0.000	1
114	1	17	LYS	HD2	H	1.773	0.001	1
115	1	17	LYS	HD3	H	1.773	0.001	1
116	1	17	LYS	HE2	H	3.007	0.000	1
117	1	17	LYS	HE3	H	3.007	0.000	1
118	1	18	LEU	H	H	8.418	0.000	1
119	1	18	LEU	HA	H	4.142	0.001	1
120	1	18	LEU	HB2	H	1.865	0.001	2
121	1	18	LEU	HB3	H	1.697	0.000	2
122	1	18	LEU	HG	H	1.630	0.001	1
123	1	18	LEU	HD11	H	0.838	0.000	2
124	1	18	LEU	HD12	H	0.838	0.000	2
125	1	18	LEU	HD13	H	0.838	0.000	2
126	1	18	LEU	HD21	H	0.879	0.001	2
127	1	18	LEU	HD22	H	0.879	0.001	2
128	1	18	LEU	HD23	H	0.879	0.001	2
129	1	19	ALA	H	H	8.360	0.002	1
130	1	19	ALA	HA	H	4.262	0.001	1
131	1	19	ALA	HB1	H	1.518	0.001	1
132	1	19	ALA	HB2	H	1.518	0.001	1
133	1	19	ALA	HB3	H	1.518	0.001	1
134	1	20	ALA	H	H	7.967	0.001	1
135	1	20	ALA	HA	H	4.225	0.001	1
136	1	20	ALA	HB1	H	1.598	0.000	1
137	1	20	ALA	HB2	H	1.598	0.000	1
138	1	20	ALA	HB3	H	1.598	0.000	1
139	1	21	TYR	H	H	8.093	0.000	1
140	1	21	TYR	HA	H	4.470	0.000	1
141	1	21	TYR	HB2	H	3.244	0.000	2
142	1	21	TYR	HB3	H	3.201	0.001	2
143	1	21	TYR	HD1	H	7.155	0.000	1
144	1	21	TYR	HD2	H	7.155	0.000	1
145	1	21	TYR	HE1	H	6.560	0.000	1
146	1	21	TYR	HE2	H	6.560	0.000	1
147	1	22	GLU	H	H	8.234	0.001	1
148	1	22	GLU	HA	H	3.657	0.001	1
149	1	22	GLU	HB2	H	2.162	0.001	2
150	1	22	GLU	HB3	H	2.116	0.002	2
151	1	22	GLU	HG2	H	2.567	0.000	2
152	1	22	GLU	HG3	H	2.405	0.000	2
153	1	23	LYS	H	H	7.603	0.001	1
154	1	23	LYS	HA	H	4.156	0.001	1
155	1	23	LYS	HB2	H	1.993	0.003	1
156	1	23	LYS	HB3	H	1.993	0.003	1
157	1	23	LYS	HG2	H	1.638	0.000	2
158	1	23	LYS	HG3	H	1.457	0.000	2
159	1	23	LYS	HD2	H	1.717	0.000	1
160	1	23	LYS	HD3	H	1.717	0.000	1
161	1	23	LYS	HE2	H	2.994	0.000	1
162	1	23	LYS	HE3	H	2.994	0.000	1
163	1	24	GLU	H	H	8.373	0.001	1
164	1	24	GLU	HA	H	4.086	0.001	1
165	1	24	GLU	HB2	H	2.224	0.000	2
166	1	24	GLU	HB3	H	1.993	0.000	2
167	1	24	GLU	HG2	H	2.554	0.001	2
168	1	24	GLU	HG3	H	2.246	0.000	2
169	1	25	LEU	H	H	9.246	0.000	1
170	1	25	LEU	HA	H	3.942	0.000	1
171	1	25	LEU	HB2	H	1.580	0.000	2
172	1	25	LEU	HB3	H	0.885	0.000	2
173	1	25	LEU	HG	H	1.478	0.000	1
174	1	25	LEU	HD11	H	0.865	0.000	2
175	1	25	LEU	HD12	H	0.865	0.000	2
176	1	25	LEU	HD13	H	0.865	0.000	2
177	1	25	LEU	HD21	H	0.881	0.000	2
178	1	25	LEU	HD22	H	0.881	0.000	2
179	1	25	LEU	HD23	H	0.881	0.000	2
180	1	26	ALA	H	H	7.736	0.001	1
181	1	26	ALA	HA	H	4.216	0.001	1
182	1	26	ALA	HB1	H	1.507	0.001	1
183	1	26	ALA	HB2	H	1.507	0.001	1
184	1	26	ALA	HB3	H	1.507	0.001	1
185	1	27	ALA	H	H	7.807	0.000	1
186	1	27	ALA	HA	H	4.200	0.001	1
187	1	27	ALA	HB1	H	1.556	0.001	1
188	1	27	ALA	HB2	H	1.556	0.001	1
189	1	27	ALA	HB3	H	1.556	0.001	1
190	1	28	TYR	H	H	8.309	0.000	1
191	1	28	TYR	HA	H	4.366	0.000	1
192	1	28	TYR	HB2	H	3.354	0.000	2
193	1	28	TYR	HB3	H	3.241	0.000	2
194	1	28	TYR	HD1	H	7.062	0.000	1
195	1	28	TYR	HD2	H	7.062	0.000	1
196	1	28	TYR	HE1	H	6.651	0.000	1
197	1	28	TYR	HE2	H	6.651	0.000	1
198	1	29	GLU	H	H	8.656	0.000	1
199	1	29	GLU	HA	H	3.587	0.001	1
200	1	29	GLU	HB2	H	2.093	0.000	2
201	1	29	GLU	HB3	H	2.014	0.000	2
202	1	29	GLU	HG2	H	2.638	0.000	2
203	1	29	GLU	HG3	H	2.380	0.000	2
204	1	30	LYS	H	H	7.651	0.001	1
205	1	30	LYS	HA	H	4.096	0.001	1
206	1	30	LYS	HB2	H	1.958	0.002	1
207	1	30	LYS	HB3	H	1.958	0.002	1
208	1	30	LYS	HG2	H	1.594	0.003	2
209	1	30	LYS	HG3	H	1.405	0.001	2
210	1	30	LYS	HD2	H	1.699	0.001	1
211	1	30	LYS	HD3	H	1.699	0.001	1
212	1	30	LYS	HE2	H	2.984	0.000	1
213	1	30	LYS	HE3	H	2.984	0.000	1
214	1	31	GLU	H	H	8.248	0.001	1
215	1	31	GLU	HA	H	4.061	0.001	1
216	1	31	GLU	HB2	H	2.119	0.001	2
217	1	31	GLU	HB3	H	1.984	0.000	2
218	1	31	GLU	HG2	H	2.467	0.000	2
219	1	31	GLU	HG3	H	2.247	0.000	2
220	1	32	LEU	H	H	9.007	0.000	1
221	1	32	LEU	HA	H	3.829	0.002	1
222	1	32	LEU	HB2	H	1.520	0.000	2
223	1	32	LEU	HB3	H	0.915	0.000	2
224	1	32	LEU	HG	H	1.392	0.001	1
225	1	32	LEU	HD11	H	0.833	0.000	1
226	1	32	LEU	HD12	H	0.833	0.000	1
227	1	32	LEU	HD13	H	0.833	0.000	1
228	1	32	LEU	HD21	H	0.833	0.000	1
229	1	32	LEU	HD22	H	0.833	0.000	1
230	1	32	LEU	HD23	H	0.833	0.000	1
231	1	33	ALA	H	H	7.674	0.000	1
232	1	33	ALA	HA	H	4.114	0.001	1
233	1	33	ALA	HB1	H	1.474	0.001	1
234	1	33	ALA	HB2	H	1.474	0.001	1
235	1	33	ALA	HB3	H	1.474	0.001	1
236	1	34	ALA	H	H	7.477	0.000	1
237	1	34	ALA	HA	H	4.204	0.001	1
238	1	34	ALA	HB1	H	1.461	0.000	1
239	1	34	ALA	HB2	H	1.461	0.000	1
240	1	34	ALA	HB3	H	1.461	0.000	1
241	1	35	TYR	H	H	7.923	0.008	1
242	1	35	TYR	HA	H	4.150	0.001	1
243	1	35	TYR	HB2	H	3.195	0.002	2
244	1	35	TYR	HB3	H	3.062	0.000	2
245	1	35	TYR	HD1	H	7.181	0.000	1
246	1	35	TYR	HD2	H	7.181	0.000	1
247	1	35	TYR	HE1	H	6.774	0.000	1
248	1	35	TYR	HE2	H	6.774	0.000	1
249	1	36	NH2	HN1	H	7.091	0.000	2
250	1	36	NH2	HN2	H	7.149	0.000	2

Release date

2023-02-26

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: DPro10Pro11 turn, : 35 entities Detail

Experiments performed 3 experiments Detail