BMRB: 30386

Two-State 14-mer UUCG Tetraloop calculated from Exact NOEs (State one: Conformers 1-5, State Two: Conformers 6-10)

Authors

Nichols, P.J., Henen, M.A., Born, A., Strotz, D., Guntert, P., Vogeli, B.

Assembly

RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3')

Entity

1. RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3') (polymer, Thiol state: not present), 14 monomers, 4517.655 Da Detail

GGCACUUCGG UGCC

Formula weight

4517.655 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemical Shifts 1

¹H: 96 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	G	H1'	H	5.823	0.001	1
2	1	1	G	H2'	H	4.890	0.001	1
3	1	1	G	H3'	H	4.728	0.000	1
4	1	1	G	H5'	H	4.089	0.000	1
5	1	1	G	H5''	H	3.987	0.007	1
6	1	1	G	H8	H	8.094	0.003	1
7	1	2	G	H1	H	13.373	0.003	1
8	1	2	G	H1'	H	5.937	0.000	1
9	1	2	G	H2'	H	4.641	0.003	1
10	1	2	G	H3'	H	4.725	0.000	1
11	1	2	G	H8	H	7.642	0.001	1
12	1	3	C	H1'	H	5.560	0.001	1
13	1	3	C	H2'	H	4.634	0.009	1
14	1	3	C	H5	H	5.345	0.016	1
15	1	3	C	H6	H	7.727	0.003	1
16	1	3	C	H41	H	8.640	0.005	1
17	1	3	C	H42	H	6.937	0.002	1
18	1	4	A	H1'	H	6.006	0.002	1
19	1	4	A	H2	H	7.454	0.003	1
20	1	4	A	H2'	H	4.711	0.005	1
21	1	4	A	H5''	H	4.191	0.011	1
22	1	4	A	H8	H	8.084	0.004	1
23	1	4	A	H61	H	8.227	0.023	1
24	1	4	A	H62	H	6.456	0.000	1
25	1	5	C	H1'	H	5.370	0.012	1
26	1	5	C	H2'	H	4.409	0.026	1
27	1	5	C	H3'	H	4.163	0.001	1
28	1	5	C	H5	H	5.219	0.028	1
29	1	5	C	H5''	H	4.054	0.000	1
30	1	5	C	H6	H	7.302	0.008	1
31	1	5	C	H41	H	8.556	0.007	1
32	1	5	C	H42	H	7.048	0.006	1
33	1	6	U	H1'	H	5.675	0.003	1
34	1	6	U	H2'	H	3.795	0.003	1
35	1	6	U	H3'	H	4.606	0.003	1
36	1	6	U	H4'	H	4.413	0.000	1
37	1	6	U	H5	H	5.683	0.003	1
38	1	6	U	H6	H	7.772	0.002	1
39	1	6	U	HO2'	H	6.695	0.003	1
40	1	7	U	H1'	H	6.127	0.003	1
41	1	7	U	H2'	H	4.757	0.015	1
42	1	7	U	H5	H	5.889	0.001	1
43	1	7	U	H5'	H	4.285	0.000	1
44	1	7	U	H5''	H	4.053	0.009	1
45	1	7	U	H6	H	8.047	0.005	1
46	1	8	C	H1'	H	5.986	0.003	1
47	1	8	C	H2'	H	4.123	0.001	1
48	1	8	C	H3'	H	4.541	0.019	1
49	1	8	C	H4'	H	3.827	0.004	1
50	1	8	C	H5	H	6.140	0.005	1
51	1	8	C	H5'	H	3.635	0.005	1
52	1	8	C	H5''	H	2.723	0.002	1
53	1	8	C	H6	H	7.721	0.008	1
54	1	8	C	H41	H	7.165	0.003	1
55	1	8	C	H42	H	6.310	0.010	1
56	1	9	G	H1	H	9.929	0.004	1
57	1	9	G	H1'	H	5.993	0.001	1
58	1	9	G	H3'	H	5.672	0.004	1
59	1	9	G	H4'	H	4.471	0.027	1
60	1	9	G	H5'	H	4.514	0.000	1
61	1	9	G	H5''	H	4.236	0.022	1
62	1	9	G	H8	H	7.898	0.001	1
63	1	10	G	H1	H	13.480	0.005	1
64	1	10	G	H1'	H	4.488	0.023	1
65	1	10	G	H2'	H	4.506	0.000	1
66	1	10	G	H3'	H	4.299	0.013	1
67	1	10	G	H5''	H	4.578	0.000	1
68	1	10	G	H8	H	8.353	0.001	1
69	1	10	G	H21	H	8.747	0.002	1
70	1	10	G	H22	H	6.496	0.001	1
71	1	11	U	H1'	H	5.586	0.006	1
72	1	11	U	H2'	H	4.738	0.010	1
73	1	11	U	H3	H	13.735	0.003	1
74	1	11	U	H5	H	5.159	0.031	1
75	1	11	U	H6	H	7.812	0.003	1
76	1	12	G	H1	H	12.634	0.008	1
77	1	12	G	H1'	H	5.873	0.005	1
78	1	12	G	H2'	H	4.613	0.001	1
79	1	12	G	H8	H	7.807	0.002	1
80	1	12	G	H21	H	8.092	0.001	1
81	1	12	G	H22	H	6.005	0.002	1
82	1	13	C	H1'	H	5.514	0.003	1
83	1	13	C	H2'	H	4.278	0.011	1
84	1	13	C	H3'	H	4.465	0.027	1
85	1	13	C	H5	H	5.297	0.018	1
86	1	13	C	H5''	H	4.086	0.000	1
87	1	13	C	H6	H	7.700	0.008	1
88	1	13	C	H41	H	8.597	0.004	1
89	1	13	C	H42	H	6.961	0.002	1
90	1	14	C	H1'	H	5.779	0.003	1
91	1	14	C	H2'	H	4.036	0.004	1
92	1	14	C	H3'	H	4.199	0.006	1
93	1	14	C	H5	H	5.552	0.002	1
94	1	14	C	H6	H	7.693	0.003	1
95	1	14	C	H41	H	8.455	0.007	1
96	1	14	C	H42	H	7.020	0.002	1

Chemical Shifts 2

¹H: 104 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
97	1	1	G	H1'	H	5.805	0.001	1
98	1	1	G	H2'	H	4.947	0.001	1
99	1	1	G	H3'	H	4.644	0.002	1
100	1	1	G	H4'	H	4.419	0.004	1
101	1	1	G	H5'	H	4.065	0.009	1
102	1	1	G	H5''	H	3.971	0.002	1
103	1	1	G	H8	H	8.080	0.001	1
104	1	2	G	H1	H	13.354	0.000	1
105	1	2	G	H1'	H	5.930	0.003	1
106	1	2	G	H2'	H	4.572	0.003	1
107	1	2	G	H3'	H	4.687	0.002	1
108	1	2	G	H4'	H	4.599	0.007	1
109	1	2	G	H5''	H	4.238	0.002	1
110	1	2	G	H8	H	7.639	0.002	1
111	1	3	C	H1'	H	5.561	0.001	1
112	1	3	C	H2'	H	4.564	0.001	1
113	1	3	C	H3'	H	4.605	0.000	1
114	1	3	C	H4'	H	4.476	0.002	1
115	1	3	C	H5	H	5.348	0.002	1
116	1	3	C	H5'	H	4.682	0.000	1
117	1	3	C	H6	H	7.740	0.001	1
118	1	4	A	H1'	H	6.003	0.001	1
119	1	4	A	H2	H	7.450	0.002	1
120	1	4	A	H2'	H	4.650	0.002	1
121	1	4	A	H3'	H	4.670	0.000	1
122	1	4	A	H4'	H	4.535	0.002	1
123	1	4	A	H5'	H	4.601	0.001	1
124	1	4	A	H5''	H	4.185	0.001	1
125	1	4	A	H8	H	8.085	0.002	1
126	1	5	C	H1'	H	5.372	0.002	1
127	1	5	C	H2'	H	4.388	0.002	1
128	1	5	C	H3'	H	4.171	0.001	1
129	1	5	C	H4'	H	4.442	0.005	1
130	1	5	C	H5	H	5.237	0.001	1
131	1	5	C	H5'	H	4.472	0.001	1
132	1	5	C	H5''	H	4.055	0.004	1
133	1	5	C	H6	H	7.310	0.001	1
134	1	6	U	H1'	H	5.677	0.001	1
135	1	6	U	H2'	H	3.795	0.001	1
136	1	6	U	H3'	H	4.562	0.002	1
137	1	6	U	H4'	H	4.382	0.002	1
138	1	6	U	H5	H	5.681	0.002	1
139	1	6	U	H5''	H	4.104	0.004	1
140	1	6	U	H6	H	7.779	0.002	1
141	1	7	U	H1'	H	6.131	0.002	1
142	1	7	U	H2'	H	4.685	0.004	1
143	1	7	U	H3'	H	4.381	0.001	1
144	1	7	U	H4'	H	4.508	0.003	1
145	1	7	U	H5	H	5.888	0.005	1
146	1	7	U	H5'	H	4.262	0.001	1
147	1	7	U	H5''	H	4.053	0.004	1
148	1	7	U	H6	H	8.050	0.001	1
149	1	8	C	H1'	H	5.991	0.001	1
150	1	8	C	H2'	H	4.125	0.002	1
151	1	8	C	H3'	H	4.510	0.002	1
152	1	8	C	H4'	H	3.835	0.001	1
153	1	8	C	H5	H	6.141	0.003	1
154	1	8	C	H5'	H	3.632	0.002	1
155	1	8	C	H5''	H	2.729	0.001	1
156	1	8	C	H6	H	7.724	0.001	1
157	1	9	G	H1	H	9.931	0.000	1
158	1	9	G	H1'	H	5.996	0.002	1
159	1	9	G	H2'	H	4.845	0.001	1
160	1	9	G	H3'	H	5.672	0.002	1
161	1	9	G	H4'	H	4.442	0.003	1
162	1	9	G	H5'	H	4.445	0.001	1
163	1	9	G	H5''	H	4.221	0.003	1
164	1	9	G	H8	H	7.893	0.001	1
165	1	10	G	H1	H	13.471	0.000	1
166	1	10	G	H1'	H	4.460	0.000	1
167	1	10	G	H2'	H	4.455	0.002	1
168	1	10	G	H3'	H	4.296	0.002	1
169	1	10	G	H4'	H	4.418	0.003	1
170	1	10	G	H5''	H	4.535	0.001	1
171	1	10	G	H8	H	8.357	0.001	1
172	1	11	U	H1'	H	5.583	0.004	1
173	1	11	U	H2'	H	4.691	0.001	1
174	1	11	U	H3	H	13.733	0.000	1
175	1	11	U	H3'	H	4.607	0.002	1
176	1	11	U	H4'	H	4.440	0.003	1
177	1	11	U	H5	H	5.179	0.001	1
178	1	11	U	H5'	H	4.542	0.004	1
179	1	11	U	H5''	H	4.085	0.001	1
180	1	11	U	H6	H	7.825	0.001	1
181	1	12	G	H1	H	12.616	0.000	1
182	1	12	G	H1'	H	5.869	0.003	1
183	1	12	G	H2'	H	4.558	0.003	1
184	1	12	G	H3'	H	4.637	0.004	1
185	1	12	G	H5'	H	4.530	0.000	1
186	1	12	G	H5''	H	4.166	0.001	1
187	1	12	G	H8	H	7.809	0.001	1
188	1	13	C	H1'	H	5.516	0.002	1
189	1	13	C	H2'	H	4.279	0.001	1
190	1	13	C	H3'	H	4.460	0.001	1
191	1	13	C	H5	H	5.307	0.003	1
192	1	13	C	H5'	H	4.429	0.001	1
193	1	13	C	H5''	H	4.076	0.004	1
194	1	13	C	H6	H	7.709	0.002	1
195	1	14	C	H1'	H	5.774	0.001	1
196	1	14	C	H2'	H	4.041	0.004	1
197	1	14	C	H3'	H	4.192	0.002	1
198	1	14	C	H5	H	5.553	0.002	1
199	1	14	C	H5'	H	4.501	0.001	1
200	1	14	C	H6	H	7.699	0.001	1

Release date

2018-01-23

Citation

High-resolution small RNA structures from exact nuclear Overhauser enhancement measurements without additional restraints
Nichols, P.J., Henen, M.A., Born, A., Strotz, D., Guntert, P., Vogeli, B.
Commun. Biol. (2018), 1, 61-61, PubMed 30271943 , DOI 10.1038/s42003-018-0067-x , Abstract

Related entities 1. RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3'), : 1 : 3 : 1 entities Detail

Experiments performed 2 experiments Detail