BMRB: 31189

Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1

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'), entity 1 (polymer, Thiol state: not present), 13 monomers, 4196.474 × 2 Da Detail

GACAGCUGCU GUC

2. RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3'), entity 2 (non-polymer), 312.327 Da

Total weight

8705.275 Da

Max. entity weight

4196.474 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 90 assignments Detail

Download

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

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	G	H1	H	12.656	0.00	1
2	1	1	G	H1'	H	5.670	0.00	1
3	1	1	G	H2'	H	4.813	0.00	1
4	1	1	G	H3'	H	4.654	0.00	1
5	1	1	G	H4'	H	4.390	0.00	1
6	1	1	G	H5''	H	3.927	0.00	1
7	1	1	G	H8	H	8.031	0.00	1
8	1	2	A	H1'	H	6.063	0.00	1
9	1	2	A	H2	H	7.823	0.00	1
10	1	2	A	H2'	H	4.524	0.00	1
11	1	2	A	H3'	H	4.756	0.00	1
12	1	2	A	H8	H	8.154	0.00	1
13	1	3	C	H1'	H	5.428	0.00	1
14	1	3	C	H2'	H	4.331	0.00	1
15	1	3	C	H3'	H	4.495	0.00	1
16	1	3	C	H5	H	5.209	0.00	1
17	1	3	C	H6	H	7.585	0.00	1
18	1	3	C	H41	H	8.317	0.00	1
19	1	3	C	H42	H	6.976	0.00	1
20	1	4	A	H1'	H	5.893	0.00	1
21	1	4	A	H2	H	7.054	0.00	1
22	1	4	A	H2'	H	4.557	0.00	1
23	1	4	A	H3'	H	4.715	0.00	1
24	1	4	A	H4'	H	4.487	0.00	1
25	1	4	A	H8	H	7.964	0.00	1
26	1	5	G	H1	H	13.501	0.01
27	1	5	G	H1'	H	5.612	0.00	1
28	1	5	G	H2'	H	4.340	0.00	1
29	1	5	G	H3'	H	4.437	0.00	1
30	1	5	G	H8	H	7.270	0.00	1
31	1	6	C	H1'	H	5.496	0.00	1
32	1	6	C	H2'	H	4.276	0.00	1
33	1	6	C	H3'	H	4.305	0.00	1
34	1	6	C	H5	H	5.134	0.00	1
35	1	6	C	H6	H	7.447	0.00	1
36	1	6	C	H41	H	6.688	0.00	1
37	1	6	C	H42	H	8.372	0.00	1
38	1	7	U	H1'	H	5.510	0.00	1
39	1	7	U	H2'	H	4.261	0.00	1
40	1	7	U	H5	H	5.446	0.00	1
41	1	7	U	H6	H	7.594	0.00	1
42	1	8	G	H1	H	13.290	0.00	1
43	1	8	G	H1'	H	5.715	0.00	1
44	1	8	G	H2'	H	4.557	0.00	1
45	1	8	G	H3'	H	4.612	0.00	1
46	1	8	G	H8	H	7.803	0.00	1
47	1	9	C	H1'	H	5.534	0.00	1
48	1	9	C	H2'	H	4.374	0.00	1
49	1	9	C	H3'	H	4.442	0.00	1
50	1	9	C	H5	H	5.230	0.00	1
51	1	9	C	H6	H	7.723	0.00	1
52	1	9	C	H41	H	8.614	0.00	1
53	1	9	C	H42	H	6.874	0.00	1
54	1	10	U	H1'	H	5.539	0.00	1
55	1	10	U	H2'	H	4.649	0.00	1
56	1	10	U	H3	H	13.614	0.00	1
57	1	10	U	H3'	H	4.608	0.00	1
58	1	10	U	H4'	H	4.559	0.00	1
59	1	10	U	H5	H	5.415	0.00	1
60	1	10	U	H5''	H	4.109	0.00	1
61	1	10	U	H6	H	7.925	0.00	1
62	1	11	G	H1	H	12.648	0.00	1
63	1	11	G	H1'	H	5.782	0.00	1
64	1	11	G	H2'	H	4.431	0.00	1
65	1	11	G	H3'	H	4.563	0.00	1
66	1	11	G	H8	H	7.754	0.00	1
67	1	12	U	H1'	H	5.489	0.00	1
68	1	12	U	H2'	H	4.214	0.00	1
69	1	12	U	H3	H	14.641	0.00	1
70	1	12	U	H3'	H	4.466	0.00	1
71	1	12	U	H4'	H	4.555	0.00	1
72	1	12	U	H5	H	5.110	0.00	1
73	1	12	U	H5'	H	4.054	0.00	1
74	1	12	U	H5''	H	4.380	0.00	1
75	1	12	U	H6	H	7.786	0.00	1
76	1	13	C	H1'	H	5.829	0.00	1
77	1	13	C	H2'	H	3.951	0.00	1
78	1	13	C	H3'	H	4.151	0.00	1
79	1	13	C	H5	H	5.607	0.00	1
80	1	13	C	H6	H	7.711	0.00	1
81	1	13	C	H41	H	8.456	0.00	1
82	1	13	C	H42	H	7.088	0.00	1
83	2	1	A1AZM	H1	H	7.238	0.00	1
84	2	1	A1AZM	H2	H	7.238	0.00	1
85	2	1	A1AZM	H3	H	7.321	0.00	1
86	2	1	A1AZM	H4	H	7.321	0.00	1
87	2	1	A1AZM	H5	H	8.012	0.00	1
88	2	1	A1AZM	H6	H	8.012	0.00	1
89	2	1	A1AZM	H7	H	7.301	0.00	1
90	2	1	A1AZM	H8	H	7.301	0.00	1

Release date

2024-07-30

Citation

NMR structures of small molecules bound to a model of a CUG RNA repeat expansion
Chen, J.L., Taghavi, A., Frank, A.J., Fountain, M.A., Choudhary, S., Roy, S., Childs-Disney, J.L., Disney, M.D.
Bioorg. Med. Chem. Lett. (2024), 111, 129888-129888, PubMed 39002937 , DOI 10.1016/j.bmcl.2024.129888 , Abstract

Entries sharing articles BMRB: 3 entries Detail

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

Experiments performed 3 experiments Detail

Chemical shift validation 4 contents Detail