BMRB: 31048

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Asp10Asn11 turn

Authors

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

Assembly

Designed miniprotein oPPalpha: Asp10Asn11 turn

Entity

1. Designed miniprotein oPPalpha: Asp10Asn11 turn (polymer, Thiol state: not present), 36 monomers, 3784.290 Da Detail

XPPKKPKKPG DNATPEKLAA YEKELAAYEK ELAAYX

Formula weight

3784.29 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 249 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	2.091	0.001	1
2	1	2	PRO	HA	H	3.515	0.001	1
3	1	2	PRO	HB2	H	1.705	0.000	2
4	1	2	PRO	HB3	H	1.924	0.000	2
5	1	2	PRO	HG2	H	1.870	0.000	2
6	1	2	PRO	HG3	H	1.930	0.000	2
7	1	2	PRO	HD2	H	3.508	0.000	2
8	1	2	PRO	HD3	H	3.568	0.000	2
9	1	3	PRO	HA	H	4.410	0.001	1
10	1	3	PRO	HB2	H	1.978	0.000	2
11	1	3	PRO	HB3	H	2.320	0.001	2
12	1	3	PRO	HG2	H	1.668	0.000	2
13	1	3	PRO	HG3	H	1.740	0.000	2
14	1	3	PRO	HD2	H	3.134	0.001	2
15	1	3	PRO	HD3	H	3.214	0.001	2
16	1	4	LYS	H	H	8.739	0.001	1
17	1	4	LYS	HA	H	4.325	0.001	1
18	1	4	LYS	HB2	H	1.692	0.000	1
19	1	4	LYS	HB3	H	1.692	0.000	1
20	1	4	LYS	HG2	H	1.349	0.000	2
21	1	4	LYS	HG3	H	1.438	0.000	2
22	1	4	LYS	HD2	H	1.659	0.000	1
23	1	4	LYS	HD3	H	1.659	0.000	1
24	1	4	LYS	HE2	H	2.982	0.001	1
25	1	4	LYS	HE3	H	2.982	0.001	1
26	1	5	LYS	H	H	8.639	0.000	1
27	1	5	LYS	HA	H	3.138	0.001	1
28	1	5	LYS	HB2	H	1.278	0.000	2
29	1	5	LYS	HB3	H	1.487	0.000	2
30	1	5	LYS	HG2	H	0.689	0.002	2
31	1	5	LYS	HG3	H	1.228	0.001	2
32	1	5	LYS	HD2	H	1.552	0.000	1
33	1	5	LYS	HD3	H	1.552	0.000	1
34	1	5	LYS	HE2	H	2.928	0.000	1
35	1	5	LYS	HE3	H	2.928	0.000	1
36	1	6	PRO	HA	H	4.402	0.001	1
37	1	6	PRO	HB2	H	1.925	0.000	2
38	1	6	PRO	HB3	H	2.399	0.001	2
39	1	6	PRO	HG2	H	1.647	0.000	2
40	1	6	PRO	HG3	H	1.726	0.000	2
41	1	6	PRO	HD2	H	3.021	0.003	2
42	1	6	PRO	HD3	H	3.443	0.002	2
43	1	7	LYS	H	H	8.724	0.000	1
44	1	7	LYS	HA	H	4.187	0.002	1
45	1	7	LYS	HB2	H	1.686	0.000	1
46	1	7	LYS	HB3	H	1.686	0.000	1
47	1	7	LYS	HG2	H	1.376	0.000	2
48	1	7	LYS	HG3	H	1.429	0.000	2
49	1	7	LYS	HD2	H	1.656	0.000	1
50	1	7	LYS	HD3	H	1.656	0.000	1
51	1	7	LYS	HE2	H	2.982	0.001	1
52	1	7	LYS	HE3	H	2.982	0.001	1
53	1	8	LYS	H	H	8.553	0.001	1
54	1	8	LYS	HA	H	3.518	0.001	1
55	1	8	LYS	HB2	H	1.517	0.001	2
56	1	8	LYS	HB3	H	1.562	0.000	2
57	1	8	LYS	HG2	H	1.038	0.001	2
58	1	8	LYS	HG3	H	1.361	0.002	2
59	1	8	LYS	HD2	H	1.572	0.001	1
60	1	8	LYS	HD3	H	1.572	0.001	1
61	1	8	LYS	HE2	H	2.944	0.001	1
62	1	8	LYS	HE3	H	2.944	0.001	1
63	1	9	PRO	HA	H	4.334	0.001	1
64	1	9	PRO	HB2	H	1.748	0.001	2
65	1	9	PRO	HB3	H	2.159	0.001	2
66	1	9	PRO	HG2	H	1.663	0.001	1
67	1	9	PRO	HG3	H	1.663	0.001	1
68	1	9	PRO	HD2	H	2.791	0.002	2
69	1	9	PRO	HD3	H	2.949	0.001	2
70	1	10	GLY	H	H	8.363	0.000	1
71	1	10	GLY	HA2	H	3.864	0.002	2
72	1	10	GLY	HA3	H	4.046	0.001	2
73	1	11	ASP	H	H	8.531	0.002	1
74	1	11	ASP	HA	H	4.330	0.001	1
75	1	11	ASP	HB2	H	2.532	0.001	2
76	1	11	ASP	HB3	H	2.657	0.000	2
77	1	12	ASN	H	H	8.644	0.001	1
78	1	12	ASN	HA	H	4.669	0.000	1
79	1	12	ASN	HB2	H	2.859	0.000	1
80	1	12	ASN	HB3	H	2.859	0.000	1
81	1	12	ASN	HD21	H	7.026	0.000	2
82	1	12	ASN	HD22	H	7.727	0.000	2
83	1	13	ALA	H	H	7.450	0.001	1
84	1	13	ALA	HA	H	4.286	0.000	1
85	1	13	ALA	HB1	H	1.385	0.000	1
86	1	13	ALA	HB2	H	1.385	0.000	1
87	1	13	ALA	HB3	H	1.385	0.000	1
88	1	14	THR	H	H	7.799	0.000	1
89	1	14	THR	HA	H	4.573	0.001	1
90	1	14	THR	HB	H	4.835	0.000	1
91	1	14	THR	HG21	H	1.451	0.001	1
92	1	14	THR	HG22	H	1.451	0.001	1
93	1	14	THR	HG23	H	1.451	0.001	1
94	1	15	PRO	HA	H	4.256	0.001	1
95	1	15	PRO	HB2	H	1.967	0.001	2
96	1	15	PRO	HB3	H	2.428	0.000	2
97	1	15	PRO	HG2	H	2.091	0.001	2
98	1	15	PRO	HG3	H	2.259	0.001	2
99	1	15	PRO	HD2	H	3.927	0.002	2
100	1	15	PRO	HD3	H	3.982	0.001	2
101	1	16	GLU	H	H	9.086	0.000	1
102	1	16	GLU	HA	H	4.152	0.001	1
103	1	16	GLU	HB2	H	1.972	0.000	2
104	1	16	GLU	HB3	H	2.134	0.001	2
105	1	16	GLU	HG2	H	2.332	0.000	2
106	1	16	GLU	HG3	H	2.446	0.000	2
107	1	17	LYS	H	H	7.905	0.001	1
108	1	17	LYS	HA	H	4.240	0.001	1
109	1	17	LYS	HB2	H	2.082	0.002	1
110	1	17	LYS	HB3	H	2.082	0.002	1
111	1	17	LYS	HG2	H	1.546	0.000	2
112	1	17	LYS	HG3	H	1.871	0.000	2
113	1	17	LYS	HD2	H	1.771	0.000	1
114	1	17	LYS	HD3	H	1.771	0.000	1
115	1	17	LYS	HE2	H	3.005	0.000	1
116	1	17	LYS	HE3	H	3.005	0.000	1
117	1	18	LEU	H	H	8.413	0.001	1
118	1	18	LEU	HA	H	4.140	0.001	1
119	1	18	LEU	HB2	H	1.692	0.001	2
120	1	18	LEU	HB3	H	1.866	0.000	2
121	1	18	LEU	HG	H	1.640	0.001	1
122	1	18	LEU	HD11	H	0.851	0.001	2
123	1	18	LEU	HD12	H	0.851	0.001	2
124	1	18	LEU	HD13	H	0.851	0.001	2
125	1	18	LEU	HD21	H	0.885	0.001	2
126	1	18	LEU	HD22	H	0.885	0.001	2
127	1	18	LEU	HD23	H	0.885	0.001	2
128	1	19	ALA	H	H	8.370	0.000	1
129	1	19	ALA	HA	H	4.260	0.000	1
130	1	19	ALA	HB1	H	1.515	0.000	1
131	1	19	ALA	HB2	H	1.515	0.000	1
132	1	19	ALA	HB3	H	1.515	0.000	1
133	1	20	ALA	H	H	7.970	0.000	1
134	1	20	ALA	HA	H	4.222	0.000	1
135	1	20	ALA	HB1	H	1.595	0.000	1
136	1	20	ALA	HB2	H	1.595	0.000	1
137	1	20	ALA	HB3	H	1.595	0.000	1
138	1	21	TYR	H	H	8.083	0.000	1
139	1	21	TYR	HA	H	4.475	0.001	1
140	1	21	TYR	HB2	H	3.182	0.002	2
141	1	21	TYR	HB3	H	3.245	0.002	2
142	1	21	TYR	HD1	H	7.157	0.002	1
143	1	21	TYR	HD2	H	7.157	0.002	1
144	1	21	TYR	HE1	H	6.564	0.000	1
145	1	21	TYR	HE2	H	6.564	0.000	1
146	1	22	GLU	H	H	8.252	0.000	1
147	1	22	GLU	HA	H	3.661	0.001	1
148	1	22	GLU	HB2	H	2.110	0.000	2
149	1	22	GLU	HB3	H	2.161	0.000	2
150	1	22	GLU	HG2	H	2.389	0.000	2
151	1	22	GLU	HG3	H	2.561	0.000	2
152	1	23	LYS	H	H	7.629	0.000	1
153	1	23	LYS	HA	H	4.153	0.001	1
154	1	23	LYS	HB2	H	1.994	0.002	1
155	1	23	LYS	HB3	H	1.994	0.002	1
156	1	23	LYS	HG2	H	1.452	0.001	2
157	1	23	LYS	HG3	H	1.641	0.000	2
158	1	23	LYS	HD2	H	1.719	0.000	1
159	1	23	LYS	HD3	H	1.719	0.000	1
160	1	23	LYS	HE2	H	2.995	0.000	1
161	1	23	LYS	HE3	H	2.995	0.000	1
162	1	24	GLU	H	H	8.372	0.000	1
163	1	24	GLU	HA	H	4.090	0.000	1
164	1	24	GLU	HB2	H	1.990	0.000	2
165	1	24	GLU	HB3	H	2.227	0.000	2
166	1	24	GLU	HG2	H	2.243	0.000	2
167	1	24	GLU	HG3	H	2.558	0.000	2
168	1	25	LEU	H	H	9.232	0.000	1
169	1	25	LEU	HA	H	3.943	0.001	1
170	1	25	LEU	HB2	H	0.904	0.002	2
171	1	25	LEU	HB3	H	1.570	0.000	2
172	1	25	LEU	HG	H	1.462	0.001	1
173	1	25	LEU	HD11	H	0.862	0.001	1
174	1	25	LEU	HD12	H	0.862	0.001	1
175	1	25	LEU	HD13	H	0.862	0.001	1
176	1	25	LEU	HD21	H	0.862	0.001	1
177	1	25	LEU	HD22	H	0.862	0.001	1
178	1	25	LEU	HD23	H	0.862	0.001	1
179	1	26	ALA	H	H	7.755	0.002	1
180	1	26	ALA	HA	H	4.215	0.000	1
181	1	26	ALA	HB1	H	1.506	0.000	1
182	1	26	ALA	HB2	H	1.506	0.000	1
183	1	26	ALA	HB3	H	1.506	0.000	1
184	1	27	ALA	H	H	7.803	0.002	1
185	1	27	ALA	HA	H	4.198	0.000	1
186	1	27	ALA	HB1	H	1.556	0.000	1
187	1	27	ALA	HB2	H	1.556	0.000	1
188	1	27	ALA	HB3	H	1.556	0.000	1
189	1	28	TYR	H	H	8.304	0.000	1
190	1	28	TYR	HA	H	4.367	0.001	1
191	1	28	TYR	HB2	H	3.239	0.000	2
192	1	28	TYR	HB3	H	3.343	0.002	2
193	1	28	TYR	HD1	H	7.061	0.000	1
194	1	28	TYR	HD2	H	7.061	0.000	1
195	1	28	TYR	HE1	H	6.648	0.000	1
196	1	28	TYR	HE2	H	6.648	0.000	1
197	1	29	GLU	H	H	8.652	0.001	1
198	1	29	GLU	HA	H	3.587	0.001	1
199	1	29	GLU	HB2	H	2.016	0.001	2
200	1	29	GLU	HB3	H	2.090	0.002	2
201	1	29	GLU	HG2	H	2.376	0.000	2
202	1	29	GLU	HG3	H	2.632	0.000	2
203	1	30	LYS	H	H	7.649	0.000	1
204	1	30	LYS	HA	H	4.097	0.001	1
205	1	30	LYS	HB2	H	1.957	0.001	1
206	1	30	LYS	HB3	H	1.957	0.001	1
207	1	30	LYS	HG2	H	1.408	0.000	2
208	1	30	LYS	HG3	H	1.592	0.000	2
209	1	30	LYS	HD2	H	1.697	0.000	1
210	1	30	LYS	HD3	H	1.697	0.000	1
211	1	30	LYS	HE2	H	2.984	0.000	1
212	1	30	LYS	HE3	H	2.984	0.000	1
213	1	31	GLU	H	H	8.246	0.001	1
214	1	31	GLU	HA	H	4.061	0.001	1
215	1	31	GLU	HB2	H	1.987	0.000	2
216	1	31	GLU	HB3	H	2.122	0.000	2
217	1	31	GLU	HG2	H	2.244	0.000	2
218	1	31	GLU	HG3	H	2.466	0.001	2
219	1	32	LEU	H	H	9.008	0.000	1
220	1	32	LEU	HA	H	3.829	0.001	1
221	1	32	LEU	HB2	H	0.917	0.000	2
222	1	32	LEU	HB3	H	1.518	0.000	2
223	1	32	LEU	HG	H	1.387	0.001	1
224	1	32	LEU	HD11	H	0.827	0.001	1
225	1	32	LEU	HD12	H	0.827	0.001	1
226	1	32	LEU	HD13	H	0.827	0.001	1
227	1	32	LEU	HD21	H	0.827	0.001	1
228	1	32	LEU	HD22	H	0.827	0.001	1
229	1	32	LEU	HD23	H	0.827	0.001	1
230	1	33	ALA	H	H	7.674	0.000	1
231	1	33	ALA	HA	H	4.113	0.000	1
232	1	33	ALA	HB1	H	1.473	0.000	1
233	1	33	ALA	HB2	H	1.473	0.000	1
234	1	33	ALA	HB3	H	1.473	0.000	1
235	1	34	ALA	H	H	7.477	0.001	1
236	1	34	ALA	HA	H	4.205	0.000	1
237	1	34	ALA	HB1	H	1.463	0.000	1
238	1	34	ALA	HB2	H	1.463	0.000	1
239	1	34	ALA	HB3	H	1.463	0.000	1
240	1	35	TYR	H	H	7.927	0.001	1
241	1	35	TYR	HA	H	4.150	0.002	1
242	1	35	TYR	HB2	H	3.061	0.001	2
243	1	35	TYR	HB3	H	3.192	0.001	2
244	1	35	TYR	HD1	H	7.179	0.000	1
245	1	35	TYR	HD2	H	7.179	0.000	1
246	1	35	TYR	HE1	H	6.773	0.000	1
247	1	35	TYR	HE2	H	6.773	0.000	1
248	1	36	NH2	HN1	H	7.087	0.000	2
249	1	36	NH2	HN2	H	7.148	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: Asp10Asn11 turn, : 36 entities Detail

Experiments performed 3 experiments Detail