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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
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111GH1H12.6560.001
211GH1'H5.6700.001
311GH2'H4.8130.001
411GH3'H4.6540.001
511GH4'H4.3900.001
611GH5''H3.9270.001
711GH8H8.0310.001
812AH1'H6.0630.001
912AH2H7.8230.001
1012AH2'H4.5240.001
1112AH3'H4.7560.001
1212AH8H8.1540.001
1313CH1'H5.4280.001
1413CH2'H4.3310.001
1513CH3'H4.4950.001
1613CH5H5.2090.001
1713CH6H7.5850.001
1813CH41H8.3170.001
1913CH42H6.9760.001
2014AH1'H5.8930.001
2114AH2H7.0540.001
2214AH2'H4.5570.001
2314AH3'H4.7150.001
2414AH4'H4.4870.001
2514AH8H7.9640.001
2615GH1H13.5010.01
2715GH1'H5.6120.001
2815GH2'H4.3400.001
2915GH3'H4.4370.001
3015GH8H7.2700.001
3116CH1'H5.4960.001
3216CH2'H4.2760.001
3316CH3'H4.3050.001
3416CH5H5.1340.001
3516CH6H7.4470.001
3616CH41H6.6880.001
3716CH42H8.3720.001
3817UH1'H5.5100.001
3917UH2'H4.2610.001
4017UH5H5.4460.001
4117UH6H7.5940.001
4218GH1H13.2900.001
4318GH1'H5.7150.001
4418GH2'H4.5570.001
4518GH3'H4.6120.001
4618GH8H7.8030.001
4719CH1'H5.5340.001
4819CH2'H4.3740.001
4919CH3'H4.4420.001
5019CH5H5.2300.001
5119CH6H7.7230.001
5219CH41H8.6140.001
5319CH42H6.8740.001
54110UH1'H5.5390.001
55110UH2'H4.6490.001
56110UH3H13.6140.001
57110UH3'H4.6080.001
58110UH4'H4.5590.001
59110UH5H5.4150.001
60110UH5''H4.1090.001
61110UH6H7.9250.001
62111GH1H12.6480.001
63111GH1'H5.7820.001
64111GH2'H4.4310.001
65111GH3'H4.5630.001
66111GH8H7.7540.001
67112UH1'H5.4890.001
68112UH2'H4.2140.001
69112UH3H14.6410.001
70112UH3'H4.4660.001
71112UH4'H4.5550.001
72112UH5H5.1100.001
73112UH5'H4.0540.001
74112UH5''H4.3800.001
75112UH6H7.7860.001
76113CH1'H5.8290.001
77113CH2'H3.9510.001
78113CH3'H4.1510.001
79113CH5H5.6070.001
80113CH6H7.7110.001
81113CH41H8.4560.001
82113CH42H7.0880.001
8321A1AZMH1H7.2380.001
8421A1AZMH2H7.2380.001
8521A1AZMH3H7.3210.001
8621A1AZMH4H7.3210.001
8721A1AZMH5H8.0120.001
8821A1AZMH6H8.0120.001
8921A1AZMH7H7.3010.001
9021A1AZMH8H7.3010.001

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 ,
Entries sharing articles BMRB: 3 entries Detail
  BMRB: 31188 released on 2024-07-30
    Title Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1
  BMRB: 31190 released on 2024-07-30
    Title Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1
  BMRB: 31191 released on 2024-07-30
    Title Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1
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
Keywords 5'CUG/3'GUC, CUG repeats, DM1, RNA, myotonic dystrophy type 1, small molecules