BMRB: 31106

The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state

Authors

Geng, A., Ganser, L., Roy, R., Shi, H., Pratihar, S., Case, D.A., Al-Hashimi, H.M.

Assembly

The excited state of HIV-1 transactivation response element (31-MER)

Entity

1. The excited state of HIV-1 transactivation response element (31-MER) (polymer, Thiol state: not present), 31 monomers, 9981.873 Da Detail

GGCAGAUCUG AGCCUUCGGG AGCUCUCUGC C

Formula weight

9981.873 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemical Shifts 1

¹H: 90, ¹³C: 79, ¹⁵N: 10 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	G	H1	H	13.315
2	1	2	G	H1'	H	5.946
3	1	2	G	H4'	H	4.55
4	1	2	G	H8	H	7.649
5	1	2	G	C1'	C	93.042
6	1	2	G	C4'	C	82.524
7	1	2	G	C8	C	136.94
8	1	2	G	N1	N	148.512
9	1	3	C	H1'	H	5.541
10	1	3	C	H4'	H	4.425
11	1	3	C	H5	H	5.288
12	1	3	C	H6	H	7.63
13	1	3	C	C1'	C	93.861
14	1	3	C	C4'	C	81.792
15	1	3	C	C5	C	94.566
16	1	3	C	C6	C	140.697
17	1	4	A	H1'	H	5.97
18	1	4	A	H2	H	7.003
19	1	4	A	H4'	H	4.478
20	1	4	A	H8	H	7.962
21	1	4	A	C1'	C	93.028
22	1	4	A	C2	C	152.386
23	1	4	A	C4'	C	81.916
24	1	4	A	C8	C	139.42
25	1	5	G	H1	H	12.794
26	1	5	G	H1'	H	5.423
27	1	5	G	H4'	H	4.422
28	1	5	G	H8	H	7.075
29	1	5	G	C1'	C	93.169
30	1	5	G	C4'	C	82.334
31	1	5	G	C8	C	136.04
32	1	5	G	N1	N	147.109
33	1	6	A	H1'	H	6.08
34	1	6	A	H2	H	7.785
35	1	6	A	H4'	H	4.551
36	1	6	A	H8	H	7.886
37	1	6	A	C1'	C	90.574
38	1	6	A	C2	C	154.396
39	1	6	A	C4'	C	82.536
40	1	6	A	C8	C	140.301
41	1	7	U	H1'	H	5.923
42	1	7	U	H4'	H	4.37
43	1	7	U	H5	H	5.862
44	1	7	U	H6	H	7.916
45	1	7	U	C1'	C	91.798
46	1	7	U	C4'	C	84.568
47	1	7	U	C5	C	102.007
48	1	7	U	C6	C	144.105
49	1	8	C	H1'	H	5.61
50	1	8	C	H4'	H	4.442
51	1	8	C	H6	H	7.603
52	1	8	C	C1'	C	94.638
53	1	8	C	C4'	C	82.078
54	1	8	C	C6	C	142.959
55	1	9	U	H1'	H	5.506
56	1	9	U	H3	H	10.306
57	1	9	U	H4'	H	4.333
58	1	9	U	H6	H	7.807
59	1	9	U	C1'	C	94.004
60	1	9	U	C4'	C	82.313
61	1	9	U	C6	C	141.66
62	1	9	U	N3	N	156.291
63	1	10	G	H1	H	12.948
64	1	10	G	H4'	H	4.526
65	1	10	G	H8	H	7.973
66	1	10	G	C4'	C	82.29
67	1	10	G	C8	C	137.907
68	1	10	G	N1	N	148.405
69	1	11	A	H1'	H	6.13
70	1	11	A	H2	H	7.772
71	1	11	A	H8	H	8.298
72	1	11	A	C1'	C	90.361
73	1	11	A	C2	C	153.799
74	1	11	A	C8	C	140.857
75	1	12	G	H1	H	12.898
76	1	12	G	H1'	H	5.807
77	1	12	G	H8	H	7.358
78	1	12	G	C1'	C	93.339
79	1	12	G	C8	C	137.041
80	1	13	C	H5	H	5.155
81	1	13	C	H6	H	7.542
82	1	13	C	C5	C	94.46
83	1	13	C	C6	C	140.844
84	1	14	C	H1'	H	5.423
85	1	14	C	H5	H	5.467
86	1	14	C	C1'	C	93.816
87	1	14	C	C5	C	94.56
88	1	15	U	H1'	H	5.581
89	1	15	U	H4'	H	4.334
90	1	15	U	H5	H	5.831
91	1	15	U	H6	H	7.741
92	1	15	U	C1'	C	94.486
93	1	15	U	C4'	C	82.315
94	1	15	U	C5	C	102.199
95	1	15	U	C6	C	140.538
96	1	16	U	H1'	H	6.117
97	1	16	U	H4'	H	4.471
98	1	16	U	H5	H	5.864
99	1	16	U	H6	H	8.038
100	1	16	U	C1'	C	89.265
101	1	16	U	C4'	C	86.972
102	1	16	U	C5	C	102.433
103	1	16	U	C6	C	144.765
104	1	17	C	H1'	H	5.96
105	1	17	C	H4'	H	3.771
106	1	17	C	H5	H	6.123
107	1	17	C	H6	H	7.694
108	1	17	C	C1'	C	89.092
109	1	17	C	C4'	C	84.416
110	1	17	C	C5	C	95.608
111	1	17	C	C6	C	142.872
112	1	18	G	H1	H	12.502
113	1	18	G	H1'	H	5.727
114	1	18	G	H8	H	7.358
115	1	18	G	C1'	C	93.078
116	1	18	G	C8	C	136.881
117	1	18	G	N1	N	147.73
118	1	19	G	H1	H	12.885
119	1	19	G	N1	N	147.239
120	1	20	G	H1	H	12.537
121	1	20	G	H1'	H	5.646
122	1	20	G	H8	H	7.132
123	1	20	G	C1'	C	93.103
124	1	20	G	C8	C	136.782
125	1	20	G	N1	N	147.8
126	1	21	A	H1'	H	6.164
127	1	21	A	H2	H	7.894
128	1	21	A	H8	H	8.164
129	1	21	A	C1'	C	91.583
130	1	21	A	C2	C	153.972
131	1	21	A	C8	C	139.96
132	1	23	C	H1'	H	5.623
133	1	23	C	H5	H	5.264
134	1	23	C	H6	H	7.367
135	1	23	C	C1'	C	94.3
136	1	23	C	C5	C	94.957
137	1	23	C	C6	C	140.637
138	1	24	U	H1'	H	5.584
139	1	24	U	H3	H	11.243
140	1	24	U	H4'	H	4.388
141	1	24	U	H5	H	5.727
142	1	24	U	H6	H	7.851
143	1	24	U	C1'	C	93.874
144	1	24	U	C4'	C	82.279
145	1	24	U	C5	C	99.967
146	1	24	U	C6	C	142.808
147	1	24	U	N3	N	157.425
148	1	25	C	H1'	H	5.737
149	1	25	C	H4'	H	4.337
150	1	25	C	H5	H	5.812
151	1	25	C	H6	H	8.018
152	1	25	C	C1'	C	93.926
153	1	25	C	C4'	C	81.833
154	1	25	C	C5	C	94.774
155	1	25	C	C6	C	142.037
156	1	26	U	H1'	H	5.502
157	1	26	U	H3	H	13.358
158	1	26	U	H4'	H	4.443
159	1	26	U	H5	H	5.449
160	1	26	U	H6	H	7.907
161	1	26	U	C1'	C	93.663
162	1	26	U	C4'	C	82.053
163	1	26	U	C5	C	100.69
164	1	26	U	C6	C	141.929
165	1	26	U	N3	N	162.111
166	1	29	G	H1	H	12.551
167	1	29	G	H1'	H	5.825
168	1	29	G	H4'	H	4.478
169	1	29	G	C1'	C	92.683
170	1	29	G	C4'	C	81.916
171	1	29	G	N1	N	147.817
172	1	30	C	H1'	H	5.501
173	1	30	C	H4'	H	4.368
174	1	30	C	H5	H	5.241
175	1	30	C	H6	H	7.694
176	1	30	C	C1'	C	94.149
177	1	30	C	C4'	C	81.839
178	1	30	C	C5	C	94.005
179	1	30	C	C6	C	140.994

Chemical Shifts 2

¹H: 10, ¹³C: 8, ¹⁵N: 2 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
180	1	18	G	H1	H	9.847
181	1	18	G	H1'	H	5.984
182	1	18	G	H8	H	7.896
183	1	18	G	C1'	C	94.529
184	1	18	G	C8	C	143.026
185	1	18	G	N1	N	143.413
186	1	23	C	H1'	H	5.496
187	1	23	C	H5	H	5.978
188	1	23	C	H6	H	7.917
189	1	23	C	C1'	C	93.802
190	1	23	C	C5	C	94.342
191	1	23	C	C6	C	143.087
192	1	24	U	H1'	H	5.828
193	1	24	U	H3	H	13.907
194	1	24	U	H4'	H	4.405
195	1	24	U	H6	H	8.069
196	1	24	U	C1'	C	93.634
197	1	24	U	C4'	C	82.045
198	1	24	U	C6	C	142.683
199	1	24	U	N3	N	162.506

Release date

2023-10-08

Citation

An RNA excited conformational state at atomic resolution
Geng, A., Ganser, L., Roy, R., Shi, H., Pratihar, S., Case, D.A., Al-Hashimi, H.M.
Nat. Commun. (2023), 14, 8432-8432, PubMed 38114465 , DOI 10.1038/s41467-023-43673-6 , Abstract

Related entities 1. The excited state of HIV-1 transactivation response element (31-MER), : 1 : 19 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 4 contents Detail