BMRB: 34836

TINA-conjugated antiparallel DNA triplex

Authors

Garavis, M., Edwards, P.J.B., Serrano-Chacon, I., Doluca, O., Filichev, V.V., Gonzalez, C.

Assembly

DNA (5'-D(*(DT5)P*CP*CP*TP*CP*CP*(DT3)*(DA5)P*GP*GP*AP*GP*GP*(DA3)*(DT5)P*GP*GP*TP*GP*(TIN)P*GP*(DT3))-3')

Entity

1. DNA (5'-D(*(DT5)P*CP*CP*TP*CP*CP*(DT3)*(DA5)P*GP*GP*AP*GP*GP*(DA3)*(DT5)P*GP*GP*TP*GP*(TIN)P*GP*(DT3))-3'), entity 1 (polymer, Thiol state: not present), 7 monomers, 2087.320 Da Detail

TCCTCCT

2. DNA (5'-D(*(DT5)P*CP*CP*TP*CP*CP*(DT3)*(DA5)P*GP*GP*AP*GP*GP*(DA3)*(DT5)P*GP*GP*TP*GP*(TIN)P*GP*(DT3))-3'), entity 2 (polymer, Thiol state: not present), 7 monomers, 2274.458 Da Detail

AGGAGGA

3. DNA (5'-D(*(DT5)P*CP*CP*TP*CP*CP*(DT3)*(DA5)P*GP*GP*AP*GP*GP*(DA3)*(DT5)P*GP*GP*TP*GP*(TIN)P*GP*(DT3))-3'), entity 3 (polymer, Thiol state: not present), 8 monomers, 2229.401 Da Detail

TGGTGXGT

Total weight

6591.179 Da

Max. entity weight

2274.458 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 213 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	DT	H1'	H	6.135
2	1	1	DT	H2'	H	2.361
3	1	1	DT	H2''	H	2.662
4	1	1	DT	H3	H	14.160
5	1	1	DT	H3'	H	4.791
6	1	1	DT	H4'	H	4.172
7	1	1	DT	H5'	H	3.802
8	1	1	DT	H5''	H	3.802
9	1	1	DT	H6	H	7.752
10	1	1	DT	H71	H	1.865
11	1	1	DT	H72	H	1.865
12	1	1	DT	H73	H	1.865
13	1	2	DC	H1'	H	6.194
14	1	2	DC	H2'	H	2.310
15	1	2	DC	H2''	H	2.669
16	1	2	DC	H3'	H	4.915
17	1	2	DC	H4'	H	4.269
18	1	2	DC	H5	H	5.739
19	1	2	DC	H5'	H	4.186
20	1	2	DC	H5''	H	4.186
21	1	2	DC	H6	H	7.675
22	1	2	DC	H41	H	8.941
23	1	2	DC	H42	H	7.360
24	1	3	DC	H1'	H	6.049
25	1	3	DC	H2'	H	2.240
26	1	3	DC	H2''	H	2.696
27	1	3	DC	H3'	H	4.859
28	1	3	DC	H4'	H	4.262
29	1	3	DC	H5	H	5.497
30	1	3	DC	H5'	H	4.241
31	1	3	DC	H5''	H	4.241
32	1	3	DC	H6	H	7.561
33	1	3	DC	H41	H	9.100
34	1	3	DC	H42	H	7.010
35	1	4	DT	H1'	H	5.844
36	1	4	DT	H2'	H	2.493
37	1	4	DT	H2''	H	2.055
38	1	4	DT	H3	H	14.159
39	1	4	DT	H3'	H	4.901
40	1	4	DT	H4'	H	4.154
41	1	4	DT	H5'	H	4.152
42	1	4	DT	H5''	H	4.027
43	1	4	DT	H6	H	7.350
44	1	4	DT	H71	H	1.727
45	1	4	DT	H72	H	1.727
46	1	4	DT	H73	H	1.727
47	1	5	DC	H1'	H	6.346
48	1	5	DC	H2'	H	2.595
49	1	5	DC	H3'	H	4.888
50	1	5	DC	H4'	H	4.205
51	1	5	DC	H5	H	5.777
52	1	5	DC	H6	H	7.601
53	1	5	DC	H41	H	7.649
54	1	5	DC	H42	H	6.700
55	1	6	DC	H1'	H	6.027
56	1	6	DC	H2'	H	2.206
57	1	6	DC	H2''	H	2.484
58	1	6	DC	H3'	H	4.720
59	1	6	DC	H4'	H	4.325
60	1	6	DC	H5	H	5.817
61	1	6	DC	H5'	H	4.242
62	1	6	DC	H5''	H	4.242
63	1	6	DC	H6	H	7.746
64	1	6	DC	H41	H	7.614
65	1	6	DC	H42	H	6.726
66	1	7	DT	H1'	H	6.313
67	1	7	DT	H2'	H	2.346
68	1	7	DT	H2''	H	2.540
69	1	7	DT	H3	H	14.000
70	1	7	DT	H3'	H	4.888
71	1	7	DT	H4'	H	4.225
72	1	7	DT	H5'	H	3.942
73	1	7	DT	H5''	H	3.942
74	1	7	DT	H6	H	7.590
75	1	7	DT	H71	H	1.630
76	1	7	DT	H72	H	1.630
77	1	7	DT	H73	H	1.630
78	2	1	DA	H1'	H	5.950
79	2	1	DA	H2	H	7.748
80	2	1	DA	H2'	H	2.971
81	2	1	DA	H2''	H	2.776
82	2	1	DA	H3'	H	4.908
83	2	1	DA	H4'	H	4.248
84	2	1	DA	H5'	H	3.830
85	2	1	DA	H5''	H	3.670
86	2	1	DA	H8	H	8.011
87	2	2	DG	H1	H	11.016
88	2	2	DG	H1'	H	5.763
89	2	2	DG	H2'	H	2.686
90	2	2	DG	H2''	H	2.766
91	2	2	DG	H3'	H	5.098
92	2	2	DG	H4'	H	4.368
93	2	2	DG	H8	H	7.644
94	2	3	DG	H1	H	10.324
95	2	3	DG	H1'	H	5.963
96	2	3	DG	H2'	H	2.490
97	2	3	DG	H2''	H	2.728
98	2	3	DG	H4'	H	4.293
99	2	3	DG	H8	H	7.329
100	2	4	DA	H1'	H	5.656
101	2	4	DA	H2'	H	7.194
102	2	4	DA	H2''	H	2.132
103	2	4	DA	H3'	H	2.469
104	2	4	DA	H4'	H	4.312
105	2	4	DA	H5'	H	3.710
106	2	4	DA	H5''	H	3.710
107	2	4	DA	H8	H	6.764
108	2	4	DA	H61	H	6.768
109	2	4	DA	H62	H	7.657
110	2	5	DG	H1	H	13.174
111	2	5	DG	H1'	H	5.883
112	2	5	DG	H2'	H	2.498
113	2	5	DG	H2''	H	2.808
114	2	5	DG	H3'	H	4.896
115	2	5	DG	H4'	H	4.414
116	2	5	DG	H5'	H	4.202
117	2	5	DG	H5''	H	4.106
118	2	5	DG	H8	H	7.188
119	2	6	DG	H1	H	13.058
120	2	6	DG	H1'	H	5.831
121	2	6	DG	H2'	H	2.569
122	2	6	DG	H2''	H	2.875
123	2	6	DG	H3'	H	5.070
124	2	6	DG	H4'	H	4.344
125	2	6	DG	H5'	H	4.231
126	2	6	DG	H5''	H	4.231
127	2	6	DG	H8	H	7.290
128	2	6	DG	H21	H	8.092
129	2	7	DA	H1'	H	6.214
130	2	7	DA	H2	H	7.004
131	2	7	DA	H2'	H	2.394
132	2	7	DA	H2''	H	2.573
133	2	7	DA	H3'	H	4.933
134	2	7	DA	H4'	H	4.396
135	2	7	DA	H5'	H	3.984
136	2	7	DA	H5''	H	3.896
137	2	7	DA	H8	H	7.934
138	2	7	DA	H61	H	7.782
139	2	7	DA	H62	H	7.494
140	3	1	DT	H1'	H	5.513
141	3	1	DT	H2'	H	1.557
142	3	1	DT	H2''	H	1.948
143	3	1	DT	H3	H	12.428
144	3	1	DT	H3'	H	4.633
145	3	1	DT	H4'	H	3.869
146	3	1	DT	H5'	H	3.812
147	3	1	DT	H5''	H	3.663
148	3	1	DT	H6	H	7.209
149	3	1	DT	H71	H	1.921
150	3	1	DT	H72	H	1.921
151	3	1	DT	H73	H	1.921
152	3	2	DG	H1	H	12.864
153	3	2	DG	H8	H	7.949
154	3	3	DG	H1	H	12.732
155	3	3	DG	H1'	H	5.681
156	3	3	DG	H2'	H	2.266
157	3	3	DG	H2''	H	2.866
158	3	3	DG	H3'	H	4.835
159	3	3	DG	H4'	H	3.906
160	3	3	DG	H8	H	7.957
161	3	4	DT	H1'	H	6.069
162	3	4	DT	H2'	H	1.080
163	3	4	DT	H2''	H	1.668
164	3	4	DT	H3	H	13.083
165	3	4	DT	H3'	H	4.847
166	3	4	DT	H4'	H	4.073
167	3	4	DT	H5'	H	4.158
168	3	4	DT	H5''	H	4.036
169	3	4	DT	H6	H	7.031
170	3	4	DT	H71	H	1.965
171	3	4	DT	H72	H	1.965
172	3	4	DT	H73	H	1.965
173	3	5	DG	H1	H	13.703
174	3	5	DG	H1'	H	5.616
175	3	5	DG	H2'	H	2.585
176	3	5	DG	H2''	H	2.639
177	3	5	DG	H4'	H	4.301
178	3	5	DG	H8	H	7.584
179	3	6	X0K	H1	H	7.480
180	3	6	X0K	H2	H	6.849
181	3	6	X0K	H3	H	7.451
182	3	6	X0K	H4	H	7.720
183	3	6	X0K	H5	H	8.032
184	3	6	X0K	H7	H	6.683
185	3	6	X0K	H8	H	6.664
186	3	6	X0K	H9	H	7.298
187	3	6	X0K	H10	H	7.609
188	3	6	X0K	H11	H	6.758
189	3	6	X0K	H12	H	6.701
190	3	6	X0K	H13	H	6.700
191	3	6	X0K	H14	H	6.756
192	3	7	DG	H1	H	12.463
193	3	7	DG	H1'	H	6.157
194	3	7	DG	H2'	H	2.776
195	3	7	DG	H2''	H	2.776
196	3	7	DG	H3'	H	4.726
197	3	7	DG	H4'	H	4.507
198	3	7	DG	H5'	H	3.918
199	3	7	DG	H5''	H	4.309
200	3	7	DG	H8	H	7.912
201	3	7	DG	H21	H	6.797
202	3	8	DT	H1'	H	6.427
203	3	8	DT	H2'	H	2.227
204	3	8	DT	H2''	H	2.288
205	3	8	DT	H3	H	12.462
206	3	8	DT	H3'	H	4.630
207	3	8	DT	H4'	H	4.290
208	3	8	DT	H5'	H	4.150
209	3	8	DT	H5''	H	4.150
210	3	8	DT	H6	H	7.611
211	3	8	DT	H71	H	1.278
212	3	8	DT	H72	H	1.278
213	3	8	DT	H73	H	1.278

Release date

2023-11-07

Citation

Understanding intercalative modulation of G-rich sequence folding: solution structure of a TINA-conjugated antiparallel DNA triplex
Garavis, M., Edwards, P.J.B., Serrano-Cachon, I., Doluca, O., Filichev, V.V., Gonzalez, C.
Nucleic Acids Res. (2024), 52, 2686-2697, PubMed 38281138 , DOI 10.1093/nar/gkae028 , Abstract

Experiments performed 7 experiments Detail

Chemical shift validation 5 contents Detail