BMRB: 31201

NMR structures of small molecules bound to a model of an RNA CAG repeat expansion.

Authors

Chen, J.L., Taghavi, A., Disney, M.D., Fountain, M.A., Childs-Disney, J.L.

Assembly

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

Entity

1. RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') (polymer, Thiol state: not present), 13 monomers, 4219.514 × 2 Da Detail

GACAGCAGCU GUC

Total weight

8439.028 Da

Max. entity weight

4219.514 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 81 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	G	H1'	H	5.691	0.00	1
2	1	1	G	H2'	H	4.814	0.00	1
3	1	1	G	H3'	H	4.642	0.00	1
4	1	1	G	H4'	H	4.38	0.00	1
5	1	1	G	H8	H	8.031	0.00	1
6	1	2	A	H1'	H	6.063	0.00	1
7	1	2	A	H2	H	7.82	0.00	1
8	1	2	A	H2'	H	4.512	0.00	1
9	1	2	A	H3'	H	4.777	0.00	1
10	1	2	A	H4'	H	4.54	0.00	1
11	1	2	A	H8	H	8.177	0.00	1
12	1	3	C	H1'	H	5.419	0.00	1
13	1	3	C	H2'	H	4.317	0.00	1
14	1	3	C	H3'	H	4.512	0.00	1
15	1	3	C	H4'	H	4.406	0.00	1
16	1	3	C	H5	H	5.198	0.00	1
17	1	3	C	H6	H	7.599	0.00	1
18	1	3	C	H41	H	8.21	0.00	1
19	1	3	C	H42	H	6.9	0.00	1
20	1	4	A	H1'	H	5.883	0.00	1
21	1	4	A	H2	H	7.03	0.00	1
22	1	4	A	H2'	H	4.622	0.00	1
23	1	4	A	H3'	H	4.71	0.00	1
24	1	4	A	H4'	H	4.478	0.00	1
25	1	4	A	H8	H	7.971	0.00	1
26	1	5	G	H1	H	13.445	0.00	1
27	1	5	G	H1'	H	5.545	0.00	1
28	1	5	G	H2'	H	4.341	0.00	1
29	1	5	G	H3'	H	4.388	0.00	1
30	1	5	G	H8	H	7.206	0.00	1
31	1	6	C	H1'	H	5.349	0.00	1
32	1	6	C	H2'	H	4.284	0.00	1
33	1	6	C	H3'	H	4.496	0.00	1
34	1	6	C	H5	H	5.1	0.00	1
35	1	6	C	H6	H	7.423	0.00	1
36	1	6	C	H41	H	8.313	0.00	1
37	1	6	C	H42	H	6.763	0.00	1
38	1	7	A	H1'	H	6.036	0.00	1
39	1	7	A	H2	H	7.891	0.00	1
40	1	7	A	H2'	H	4.62	0.00	1
41	1	7	A	H3'	H	4.654	0.00	1
42	1	7	A	H4'	H	4.495	0.00	1
43	1	7	A	H8	H	8.151	0.00	1
44	1	8	G	H1	H	12.437	0.00	1
45	1	8	G	H1'	H	5.549	0.00	1
46	1	8	G	H2'	H	4.466	0.00	1
47	1	8	G	H3'	H	4.289	0.00	1
48	1	8	G	H8	H	7.094	0.00	1
49	1	9	C	H1'	H	5.45	0.00	1
50	1	9	C	H2'	H	4.289	0.00	1
51	1	9	C	H5	H	5.041	0.00	1
52	1	9	C	H6	H	7.752	0.00	1
53	1	9	C	H41	H	8.45	0.00	1
54	1	9	C	H42	H	6.701	0.00	1
55	1	10	U	H1'	H	5.488	0.00	1
56	1	10	U	H2'	H	4.623	0.00	1
57	1	10	U	H3	H	13.466	0.00	1
58	1	10	U	H3'	H	4.585	0.00	1
59	1	10	U	H4'	H	4.423	0.00	1
60	1	10	U	H5	H	5.378	0.00	1
61	1	10	U	H6	H	7.875	0.00	1
62	1	11	G	H1	H	12.578	0.00	1
63	1	11	G	H1'	H	5.762	0.00	1
64	1	11	G	H2'	H	4.408	0.00	1
65	1	11	G	H3'	H	4.552	0.00	1
66	1	11	G	H4'	H	4.471	0.00	1
67	1	11	G	H8	H	7.702	0.00	1
68	1	12	U	H1'	H	5.471	0.00	1
69	1	12	U	H2'	H	4.22	0.00	1
70	1	12	U	H3	H	14.625	0.00	1
71	1	12	U	H3'	H	4.452	0.00	1
72	1	12	U	H4'	H	4.372	0.00	1
73	1	12	U	H5	H	5.088	0.00	1
74	1	12	U	H6	H	7.789	0.00	1
75	1	13	C	H1'	H	5.822	0.00	1
76	1	13	C	H2'	H	3.962	0.00	1
77	1	13	C	H3'	H	4.173	0.00	1
78	1	13	C	H5	H	5.622	0.00	1
79	1	13	C	H6	H	7.732	0.00	1
80	1	13	C	H41	H	8.348	0.00	1
81	1	13	C	H42	H	6.985	0.00	1

Release date

2025-08-28

Citation

NMR structures of small molecules bound to a model of an RNA CAG repeat expansion
Chen, J.L., Taghavi, A., Disney, M.D., Fountain, M.A.
Nucleic Acids Res.

Related entities 1. RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3'), : 1 : 4 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail