BMRB: 31053

Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: DPro10Pro11 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, 3749.329 Da Detail

XPPKKPKKPG XPATPEKLAA YEKELAAYEK ELAAYX

Formula weight

3749.329 Da

Source organism

Streptococcus mutans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 253 assignments Detail

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• 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	2.093	0.000	1
2	1	2	PRO	HA	H	3.485	0.001	1
3	1	2	PRO	HB2	H	1.696	0.002	2
4	1	2	PRO	HB3	H	1.890	0.000	2
5	1	2	PRO	HG2	H	1.868	0.000	2
6	1	2	PRO	HG3	H	1.926	0.000	2
7	1	2	PRO	HD2	H	3.502	0.000	2
8	1	2	PRO	HD3	H	3.567	0.001	2
9	1	3	PRO	HA	H	4.412	0.001	1
10	1	3	PRO	HB2	H	1.983	0.002	2
11	1	3	PRO	HB3	H	2.333	0.002	2
12	1	3	PRO	HG2	H	1.688	0.001	2
13	1	3	PRO	HG3	H	1.747	0.000	2
14	1	3	PRO	HD2	H	3.131	0.000	2
15	1	3	PRO	HD3	H	3.223	0.004	2
16	1	4	LYS	H	H	8.731	0.001	1
17	1	4	LYS	HA	H	4.321	0.001	1
18	1	4	LYS	HB2	H	1.663	0.000	1
19	1	4	LYS	HB3	H	1.663	0.000	1
20	1	4	LYS	HG2	H	1.353	0.001	2
21	1	4	LYS	HG3	H	1.445	0.000	2
22	1	4	LYS	HD2	H	1.682	0.000	1
23	1	4	LYS	HD3	H	1.682	0.000	1
24	1	4	LYS	HE2	H	2.986	0.001	1
25	1	4	LYS	HE3	H	2.986	0.001	1
26	1	5	LYS	H	H	8.622	0.000	1
27	1	5	LYS	HA	H	3.053	0.000	1
28	1	5	LYS	HB2	H	1.293	0.000	2
29	1	5	LYS	HB3	H	1.489	0.000	2
30	1	5	LYS	HG2	H	0.689	0.002	2
31	1	5	LYS	HG3	H	1.248	0.000	2
32	1	5	LYS	HD2	H	1.555	0.000	1
33	1	5	LYS	HD3	H	1.555	0.000	1
34	1	5	LYS	HE2	H	2.935	0.001	1
35	1	5	LYS	HE3	H	2.935	0.001	1
36	1	6	PRO	HA	H	4.405	0.000	1
37	1	6	PRO	HB2	H	1.885	0.000	2
38	1	6	PRO	HB3	H	2.401	0.001	2
39	1	6	PRO	HG2	H	1.696	0.002	1
40	1	6	PRO	HG3	H	1.696	0.002	1
41	1	6	PRO	HD2	H	2.998	0.000	2
42	1	6	PRO	HD3	H	3.464	0.001	2
43	1	7	LYS	H	H	8.780	0.001	1
44	1	7	LYS	HA	H	4.313	0.001	1
45	1	7	LYS	HB2	H	1.658	0.000	1
46	1	7	LYS	HB3	H	1.658	0.000	1
47	1	7	LYS	HG2	H	1.388	0.002	2
48	1	7	LYS	HG3	H	1.441	0.000	2
49	1	7	LYS	HD2	H	1.692	0.000	1
50	1	7	LYS	HD3	H	1.692	0.000	1
51	1	7	LYS	HE2	H	2.986	0.001	1
52	1	7	LYS	HE3	H	2.986	0.001	1
53	1	8	LYS	H	H	8.609	0.001	1
54	1	8	LYS	HA	H	3.347	0.001	1
55	1	8	LYS	HB2	H	1.352	0.000	2
56	1	8	LYS	HB3	H	1.465	0.000	2
57	1	8	LYS	HG2	H	0.863	0.002	2
58	1	8	LYS	HG3	H	1.057	0.002	2
59	1	8	LYS	HD2	H	1.483	0.000	1
60	1	8	LYS	HD3	H	1.483	0.000	1
61	1	8	LYS	HE2	H	2.851	0.002	1
62	1	8	LYS	HE3	H	2.851	0.002	1
63	1	9	PRO	HA	H	4.309	0.000	1
64	1	9	PRO	HB2	H	1.808	0.000	2
65	1	9	PRO	HB3	H	2.312	0.003	2
66	1	9	PRO	HG2	H	1.861	0.001	2
67	1	9	PRO	HG3	H	1.905	0.000	2
68	1	9	PRO	HD2	H	3.021	0.001	2
69	1	9	PRO	HD3	H	3.427	0.000	2
70	1	10	GLY	H	H	8.483	0.000	1
71	1	10	GLY	HA2	H	3.817	0.000	2
72	1	10	GLY	HA3	H	4.333	0.001	2
73	1	11	DPR	HA	H	4.676	0.002	1
74	1	11	DPR	HB2	H	1.925	0.002	2
75	1	11	DPR	HB3	H	2.333	0.002	2
76	1	11	DPR	HG2	H	2.006	0.000	1
77	1	11	DPR	HG3	H	2.006	0.000	1
78	1	11	DPR	HD2	H	3.584	0.000	2
79	1	11	DPR	HD3	H	3.617	0.002	2
80	1	12	PRO	HA	H	4.471	0.000	1
81	1	12	PRO	HB2	H	2.017	0.001	2
82	1	12	PRO	HB3	H	2.144	0.001	2
83	1	12	PRO	HG2	H	2.039	0.000	1
84	1	12	PRO	HG3	H	2.039	0.000	1
85	1	12	PRO	HD2	H	3.625	0.002	2
86	1	12	PRO	HD3	H	3.753	0.002	2
87	1	13	ALA	H	H	8.498	0.000	1
88	1	13	ALA	HA	H	4.364	0.001	1
89	1	13	ALA	HB1	H	1.277	0.000	1
90	1	13	ALA	HB2	H	1.277	0.000	1
91	1	13	ALA	HB3	H	1.277	0.000	1
92	1	14	THR	H	H	7.491	0.000	1
93	1	14	THR	HA	H	4.757	0.000	1
94	1	14	THR	HB	H	4.757	0.000	1
95	1	14	THR	HG21	H	1.325	0.000	1
96	1	14	THR	HG22	H	1.325	0.000	1
97	1	14	THR	HG23	H	1.325	0.000	1
98	1	15	PRO	HA	H	4.281	0.000	1
99	1	15	PRO	HB2	H	1.981	0.000	2
100	1	15	PRO	HB3	H	2.429	0.000	2
101	1	15	PRO	HG2	H	2.075	0.001	2
102	1	15	PRO	HG3	H	2.269	0.000	2
103	1	15	PRO	HD2	H	3.962	0.000	1
104	1	15	PRO	HD3	H	3.962	0.000	1
105	1	16	GLU	H	H	9.142	0.000	1
106	1	16	GLU	HA	H	4.141	0.001	1
107	1	16	GLU	HB2	H	1.979	0.000	2
108	1	16	GLU	HB3	H	2.124	0.000	2
109	1	16	GLU	HG2	H	2.330	0.000	2
110	1	16	GLU	HG3	H	2.465	0.000	2
111	1	17	LYS	H	H	7.941	0.000	1
112	1	17	LYS	HA	H	4.171	0.000	1
113	1	17	LYS	HB2	H	1.974	0.000	1
114	1	17	LYS	HB3	H	1.974	0.000	1
115	1	17	LYS	HG2	H	1.484	0.000	2
116	1	17	LYS	HG3	H	1.600	0.000	2
117	1	17	LYS	HD2	H	1.813	0.001	1
118	1	17	LYS	HD3	H	1.813	0.001	1
119	1	17	LYS	HE2	H	3.011	0.008	1
120	1	17	LYS	HE3	H	3.011	0.008	1
121	1	18	LEU	H	H	8.300	0.000	1
122	1	18	LEU	HA	H	4.219	0.001	1
123	1	18	LEU	HB2	H	1.749	0.002	2
124	1	18	LEU	HB3	H	1.847	0.001	2
125	1	18	LEU	HG	H	1.701	0.001	1
126	1	18	LEU	HD11	H	0.875	0.000	2
127	1	18	LEU	HD12	H	0.875	0.000	2
128	1	18	LEU	HD13	H	0.875	0.000	2
129	1	18	LEU	HD21	H	0.918	0.000	2
130	1	18	LEU	HD22	H	0.918	0.000	2
131	1	18	LEU	HD23	H	0.918	0.000	2
132	1	19	ALA	H	H	8.385	0.000	1
133	1	19	ALA	HA	H	4.253	0.001	1
134	1	19	ALA	HB1	H	1.514	0.001	1
135	1	19	ALA	HB2	H	1.514	0.001	1
136	1	19	ALA	HB3	H	1.514	0.001	1
137	1	20	ALA	H	H	7.912	0.000	1
138	1	20	ALA	HA	H	4.221	0.000	1
139	1	20	ALA	HB1	H	1.598	0.000	1
140	1	20	ALA	HB2	H	1.598	0.000	1
141	1	20	ALA	HB3	H	1.598	0.000	1
142	1	21	TYR	H	H	7.982	0.000	1
143	1	21	TYR	HA	H	4.511	0.001	1
144	1	21	TYR	HB2	H	3.187	0.001	2
145	1	21	TYR	HB3	H	3.229	0.001	2
146	1	21	TYR	HD1	H	7.178	0.000	1
147	1	21	TYR	HD2	H	7.178	0.000	1
148	1	21	TYR	HE1	H	6.547	0.000	1
149	1	21	TYR	HE2	H	6.547	0.000	1
150	1	22	GLU	H	H	8.492	0.000	1
151	1	22	GLU	HA	H	3.669	0.001	1
152	1	22	GLU	HB2	H	2.090	0.000	2
153	1	22	GLU	HB3	H	2.159	0.001	2
154	1	22	GLU	HG2	H	2.377	0.000	2
155	1	22	GLU	HG3	H	2.574	0.001	2
156	1	23	LYS	H	H	7.740	0.001	1
157	1	23	LYS	HA	H	4.158	0.001	1
158	1	23	LYS	HB2	H	2.000	0.001	1
159	1	23	LYS	HB3	H	2.000	0.001	1
160	1	23	LYS	HG2	H	1.445	0.000	2
161	1	23	LYS	HG3	H	1.644	0.001	2
162	1	23	LYS	HD2	H	1.718	0.003	1
163	1	23	LYS	HD3	H	1.718	0.003	1
164	1	23	LYS	HE2	H	2.999	0.000	1
165	1	23	LYS	HE3	H	2.999	0.000	1
166	1	24	GLU	H	H	8.160	0.000	1
167	1	24	GLU	HA	H	4.116	0.001	1
168	1	24	GLU	HB2	H	2.013	0.001	2
169	1	24	GLU	HB3	H	2.243	0.000	2
170	1	24	GLU	HG2	H	2.253	0.000	2
171	1	24	GLU	HG3	H	2.567	0.001	2
172	1	25	LEU	H	H	9.099	0.000	1
173	1	25	LEU	HA	H	3.956	0.001	1
174	1	25	LEU	HB2	H	1.059	0.001	2
175	1	25	LEU	HB3	H	1.578	0.000	2
176	1	25	LEU	HG	H	1.400	0.000	1
177	1	25	LEU	HD11	H	0.825	0.000	1
178	1	25	LEU	HD12	H	0.825	0.000	1
179	1	25	LEU	HD13	H	0.825	0.000	1
180	1	25	LEU	HD21	H	0.825	0.000	1
181	1	25	LEU	HD22	H	0.825	0.000	1
182	1	25	LEU	HD23	H	0.825	0.000	1
183	1	26	ALA	H	H	7.913	0.000	1
184	1	26	ALA	HA	H	4.212	0.000	1
185	1	26	ALA	HB1	H	1.510	0.001	1
186	1	26	ALA	HB2	H	1.510	0.001	1
187	1	26	ALA	HB3	H	1.510	0.001	1
188	1	27	ALA	H	H	7.800	0.000	1
189	1	27	ALA	HA	H	4.204	0.001	1
190	1	27	ALA	HB1	H	1.567	0.000	1
191	1	27	ALA	HB2	H	1.567	0.000	1
192	1	27	ALA	HB3	H	1.567	0.000	1
193	1	28	TYR	H	H	8.246	0.000	1
194	1	28	TYR	HA	H	4.403	0.000	1
195	1	28	TYR	HB2	H	3.242	0.000	2
196	1	28	TYR	HB3	H	3.337	0.001	2
197	1	28	TYR	HD1	H	7.076	0.000	1
198	1	28	TYR	HD2	H	7.076	0.000	1
199	1	28	TYR	HE1	H	6.643	0.000	1
200	1	28	TYR	HE2	H	6.643	0.000	1
201	1	29	GLU	H	H	8.639	0.000	1
202	1	29	GLU	HA	H	3.574	0.000	1
203	1	29	GLU	HB2	H	2.025	0.000	2
204	1	29	GLU	HB3	H	2.085	0.000	2
205	1	29	GLU	HG2	H	2.383	0.000	2
206	1	29	GLU	HG3	H	2.615	0.001	2
207	1	30	LYS	H	H	7.648	0.000	1
208	1	30	LYS	HA	H	4.100	0.001	1
209	1	30	LYS	HB2	H	1.959	0.000	1
210	1	30	LYS	HB3	H	1.959	0.000	1
211	1	30	LYS	HG2	H	1.410	0.002	2
212	1	30	LYS	HG3	H	1.599	0.002	2
213	1	30	LYS	HD2	H	1.700	0.000	1
214	1	30	LYS	HD3	H	1.700	0.000	1
215	1	30	LYS	HE2	H	2.986	0.000	1
216	1	30	LYS	HE3	H	2.986	0.000	1
217	1	31	GLU	H	H	8.217	0.000	1
218	1	31	GLU	HA	H	4.065	0.002	1
219	1	31	GLU	HB2	H	1.999	0.003	2
220	1	31	GLU	HB3	H	2.138	0.001	2
221	1	31	GLU	HG2	H	2.250	0.001	2
222	1	31	GLU	HG3	H	2.473	0.001	2
223	1	32	LEU	H	H	9.015	0.000	1
224	1	32	LEU	HA	H	3.833	0.002	1
225	1	32	LEU	HB2	H	0.928	0.000	2
226	1	32	LEU	HB3	H	1.519	0.000	2
227	1	32	LEU	HG	H	1.387	0.000	1
228	1	32	LEU	HD11	H	0.832	0.000	1
229	1	32	LEU	HD12	H	0.832	0.000	1
230	1	32	LEU	HD13	H	0.832	0.000	1
231	1	32	LEU	HD21	H	0.832	0.000	1
232	1	32	LEU	HD22	H	0.832	0.000	1
233	1	32	LEU	HD23	H	0.832	0.000	1
234	1	33	ALA	H	H	7.699	0.000	1
235	1	33	ALA	HA	H	4.116	0.000	1
236	1	33	ALA	HB1	H	1.475	0.000	1
237	1	33	ALA	HB2	H	1.475	0.000	1
238	1	33	ALA	HB3	H	1.475	0.000	1
239	1	34	ALA	H	H	7.490	0.000	1
240	1	34	ALA	HA	H	4.204	0.000	1
241	1	34	ALA	HB1	H	1.465	0.001	1
242	1	34	ALA	HB2	H	1.465	0.001	1
243	1	34	ALA	HB3	H	1.465	0.001	1
244	1	35	TYR	H	H	7.915	0.000	1
245	1	35	TYR	HA	H	4.149	0.003	1
246	1	35	TYR	HB2	H	3.070	0.001	2
247	1	35	TYR	HB3	H	3.192	0.001	2
248	1	35	TYR	HD1	H	7.184	0.000	1
249	1	35	TYR	HD2	H	7.184	0.000	1
250	1	35	TYR	HE1	H	6.774	0.000	1
251	1	35	TYR	HE2	H	6.774	0.000	1
252	1	36	NH2	HN1	H	7.088	0.000	2
253	1	36	NH2	HN2	H	7.139	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: DPro10Pro11 turn, : 34 entities Detail

Experiments performed 3 experiments Detail