BMRB: 36174

SOLUTION NMR STRUCTURE OF A 14-MER DOUBLE STRANDED DNA DUPLEX CGCGAAATTTCGCG

Authors

Ganguly, S., Basu, G.

Assembly

DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*TP*TP*TP*CP*GP*CP*G)-3')

Entity

1. DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*TP*TP*TP*CP*GP*CP*G)-3') (polymer, Thiol state: not present), 14 monomers, 4343.763 × 2 Da Detail

CGCGAAATTT CGCG

Total weight

8687.526 Da

Max. entity weight

4343.763 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 258 assignments Detail

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• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DC	H1'	H	5.78
2	1	1	DC	H2'	H	1.97
3	1	1	DC	H2''	H	2.42
4	1	1	DC	H3'	H	4.71
5	1	1	DC	H4'	H	4.07
6	1	1	DC	H5	H	5.93
7	1	1	DC	H5'	H	3.74
8	1	1	DC	H6	H	7.65
9	1	2	DG	H1	H	13.08
10	1	2	DG	H1'	H	5.89
11	1	2	DG	H2'	H	2.65
12	1	2	DG	H2''	H	2.68
13	1	2	DG	H3'	H	4.97
14	1	2	DG	H4'	H	4.35
15	1	2	DG	H5'	H	4.13
16	1	2	DG	H8	H	7.95
17	1	2	DG	H21	H	8.52
18	1	3	DC	H1'	H	5.63
19	1	3	DC	H2'	H	1.81
20	1	3	DC	H2''	H	2.23
21	1	3	DC	H3'	H	4.79
22	1	3	DC	H4'	H	4.22
23	1	3	DC	H5	H	5.38
24	1	3	DC	H5'	H	4.15
25	1	3	DC	H6	H	7.25
26	1	3	DC	H41	H	8.42
27	1	3	DC	H42	H	6.47
28	1	4	DG	H1	H	12.72
29	1	4	DG	H1'	H	5.33
30	1	4	DG	H2'	H	2.57
31	1	4	DG	H2''	H	2.63
32	1	4	DG	H3'	H	4.96
33	1	4	DG	H4'	H	4.30
34	1	4	DG	H5'	H	4.15
35	1	4	DG	H8	H	7.82
36	1	4	DG	H21	H	8.39
37	1	5	DA	H1'	H	5.98
38	1	5	DA	H2	H	7.16
39	1	5	DA	H2'	H	2.60
40	1	5	DA	H2''	H	2.89
41	1	5	DA	H3'	H	5.03
42	1	5	DA	H4'	H	4.42
43	1	5	DA	H5'	H	4.22
44	1	5	DA	H8	H	8.07
45	1	6	DA	H1'	H	5.88
46	1	6	DA	H2	H	7.02
47	1	6	DA	H2'	H	2.61
48	1	6	DA	H2''	H	2.91
49	1	6	DA	H3'	H	5.04
50	1	6	DA	H4'	H	4.45
51	1	6	DA	H5'	H	4.24
52	1	6	DA	H8	H	8.04
53	1	7	DA	H1'	H	6.12
54	1	7	DA	H2	H	7.58
55	1	7	DA	H2'	H	2.63
56	1	7	DA	H2''	H	2.90
57	1	7	DA	H3'	H	5.01
58	1	7	DA	H4'	H	4.45
59	1	7	DA	H5'	H	4.25
60	1	7	DA	H8	H	8.06
61	1	8	DT	H1'	H	5.93
62	1	8	DT	H2'	H	2.03
63	1	8	DT	H2''	H	2.56
64	1	8	DT	H3	H	13.71
65	1	8	DT	H3'	H	4.86
66	1	8	DT	H4'	H	4.35
67	1	8	DT	H5'	H	4.28
68	1	8	DT	H6	H	7.10
69	1	8	DT	H71	H	1.23
70	1	8	DT	H72	H	1.23
71	1	8	DT	H73	H	1.23
72	1	9	DT	H1'	H	6.14
73	1	9	DT	H2'	H	2.19
74	1	9	DT	H2''	H	2.66
75	1	9	DT	H3	H	13.96
76	1	9	DT	H3'	H	4.92
77	1	9	DT	H4'	H	4.32
78	1	9	DT	H5'	H	4.25
79	1	9	DT	H6	H	7.43
80	1	9	DT	H71	H	1.52
81	1	9	DT	H72	H	1.52
82	1	9	DT	H73	H	1.52
83	1	10	DT	H1'	H	6.13
84	1	10	DT	H2'	H	2.13
85	1	10	DT	H2''	H	2.59
86	1	10	DT	H3	H	13.76
87	1	10	DT	H3'	H	4.93
88	1	10	DT	H4'	H	4.28
89	1	10	DT	H5'	H	4.23
90	1	10	DT	H6	H	7.38
91	1	10	DT	H71	H	1.61
92	1	10	DT	H72	H	1.61
93	1	10	DT	H73	H	1.61
94	1	11	DC	H1'	H	5.59
95	1	11	DC	H2'	H	2.05
96	1	11	DC	H2''	H	2.41
97	1	11	DC	H3'	H	4.88
98	1	11	DC	H4'	H	4.21
99	1	11	DC	H5	H	5.64
100	1	11	DC	H5'	H	4.21
101	1	11	DC	H6	H	7.47
102	1	11	DC	H41	H	8.46
103	1	11	DC	H42	H	6.61
104	1	12	DG	H1	H	12.92
105	1	12	DG	H1'	H	5.84
106	1	12	DG	H2'	H	2.38
107	1	12	DG	H2''	H	2.67
108	1	12	DG	H3'	H	4.99
109	1	12	DG	H4'	H	4.36
110	1	12	DG	H5'	H	4.18
111	1	12	DG	H8	H	7.92
112	1	12	DG	H21	H	8.38
113	1	13	DC	H1'	H	5.77
114	1	13	DC	H2'	H	1.90
115	1	13	DC	H2''	H	2.34
116	1	13	DC	H3'	H	4.83
117	1	13	DC	H4'	H	4.29
118	1	13	DC	H5	H	5.45
119	1	13	DC	H5'	H	4.22
120	1	13	DC	H6	H	7.34
121	1	13	DC	H41	H	8.48
122	1	13	DC	H42	H	6.85
123	1	14	DG	H1'	H	6.17
124	1	14	DG	H2'	H	2.36
125	1	14	DG	H2''	H	2.69
126	1	14	DG	H3'	H	4.69
127	1	14	DG	H4'	H	4.22
128	1	14	DG	H5'	H	4.12
129	1	14	DG	H8	H	7.96
130	1	1	DC	H1'	H	5.78
131	1	1	DC	H2'	H	1.97
132	1	1	DC	H2''	H	2.42
133	1	1	DC	H3'	H	4.71
134	1	1	DC	H4'	H	4.07
135	1	1	DC	H5	H	5.93
136	1	1	DC	H5'	H	3.74
137	1	1	DC	H6	H	7.65
138	1	2	DG	H1	H	13.08
139	1	2	DG	H1'	H	5.89
140	1	2	DG	H2'	H	2.65
141	1	2	DG	H2''	H	2.68
142	1	2	DG	H3'	H	4.97
143	1	2	DG	H4'	H	4.35
144	1	2	DG	H5'	H	4.13
145	1	2	DG	H8	H	7.95
146	1	2	DG	H21	H	8.52
147	1	3	DC	H1'	H	5.63
148	1	3	DC	H2'	H	1.81
149	1	3	DC	H2''	H	2.23
150	1	3	DC	H3'	H	4.79
151	1	3	DC	H4'	H	4.22
152	1	3	DC	H5	H	5.38
153	1	3	DC	H5'	H	4.15
154	1	3	DC	H6	H	7.25
155	1	3	DC	H41	H	8.42
156	1	3	DC	H42	H	6.47
157	1	4	DG	H1	H	12.72
158	1	4	DG	H1'	H	5.33
159	1	4	DG	H2'	H	2.57
160	1	4	DG	H2''	H	2.63
161	1	4	DG	H3'	H	4.96
162	1	4	DG	H4'	H	4.30
163	1	4	DG	H5'	H	4.15
164	1	4	DG	H8	H	7.82
165	1	4	DG	H21	H	8.39
166	1	5	DA	H1'	H	5.98
167	1	5	DA	H2	H	7.16
168	1	5	DA	H2'	H	2.60
169	1	5	DA	H2''	H	2.89
170	1	5	DA	H3'	H	5.03
171	1	5	DA	H4'	H	4.42
172	1	5	DA	H5'	H	4.22
173	1	5	DA	H8	H	8.07
174	1	6	DA	H1'	H	5.88
175	1	6	DA	H2	H	7.02
176	1	6	DA	H2'	H	2.61
177	1	6	DA	H2''	H	2.91
178	1	6	DA	H3'	H	5.04
179	1	6	DA	H4'	H	4.45
180	1	6	DA	H5'	H	4.24
181	1	6	DA	H8	H	8.04
182	1	7	DA	H1'	H	6.12
183	1	7	DA	H2	H	7.58
184	1	7	DA	H2'	H	2.63
185	1	7	DA	H2''	H	2.90
186	1	7	DA	H3'	H	5.01
187	1	7	DA	H4'	H	4.45
188	1	7	DA	H5'	H	4.25
189	1	7	DA	H8	H	8.06
190	1	8	DT	H1'	H	5.93
191	1	8	DT	H2'	H	2.03
192	1	8	DT	H2''	H	2.56
193	1	8	DT	H3	H	13.71
194	1	8	DT	H3'	H	4.86
195	1	8	DT	H4'	H	4.35
196	1	8	DT	H5'	H	4.28
197	1	8	DT	H6	H	7.10
198	1	8	DT	H71	H	1.23
199	1	8	DT	H72	H	1.23
200	1	8	DT	H73	H	1.23
201	1	9	DT	H1'	H	6.14
202	1	9	DT	H2'	H	2.19
203	1	9	DT	H2''	H	2.66
204	1	9	DT	H3	H	13.96
205	1	9	DT	H3'	H	4.92
206	1	9	DT	H4'	H	4.32
207	1	9	DT	H5'	H	4.25
208	1	9	DT	H6	H	7.43
209	1	9	DT	H71	H	1.52
210	1	9	DT	H72	H	1.52
211	1	9	DT	H73	H	1.52
212	1	10	DT	H1'	H	6.13
213	1	10	DT	H2'	H	2.13
214	1	10	DT	H2''	H	2.59
215	1	10	DT	H3	H	13.76
216	1	10	DT	H3'	H	4.93
217	1	10	DT	H4'	H	4.28
218	1	10	DT	H5'	H	4.23
219	1	10	DT	H6	H	7.38
220	1	10	DT	H71	H	1.61
221	1	10	DT	H72	H	1.61
222	1	10	DT	H73	H	1.61
223	1	11	DC	H1'	H	5.59
224	1	11	DC	H2'	H	2.05
225	1	11	DC	H2''	H	2.41
226	1	11	DC	H3'	H	4.88
227	1	11	DC	H4'	H	4.21
228	1	11	DC	H5	H	5.64
229	1	11	DC	H5'	H	4.21
230	1	11	DC	H6	H	7.47
231	1	11	DC	H41	H	8.46
232	1	11	DC	H42	H	6.61
233	1	12	DG	H1	H	12.92
234	1	12	DG	H1'	H	5.84
235	1	12	DG	H2'	H	2.38
236	1	12	DG	H2''	H	2.67
237	1	12	DG	H3'	H	4.99
238	1	12	DG	H4'	H	4.36
239	1	12	DG	H5'	H	4.18
240	1	12	DG	H8	H	7.92
241	1	12	DG	H21	H	8.38
242	1	13	DC	H1'	H	5.77
243	1	13	DC	H2'	H	1.90
244	1	13	DC	H2''	H	2.34
245	1	13	DC	H3'	H	4.83
246	1	13	DC	H4'	H	4.29
247	1	13	DC	H5	H	5.45
248	1	13	DC	H5'	H	4.22
249	1	13	DC	H6	H	7.34
250	1	13	DC	H41	H	8.48
251	1	13	DC	H42	H	6.85
252	1	14	DG	H1'	H	6.17
253	1	14	DG	H2'	H	2.36
254	1	14	DG	H2''	H	2.69
255	1	14	DG	H3'	H	4.69
256	1	14	DG	H4'	H	4.22
257	1	14	DG	H5'	H	4.12
258	1	14	DG	H8	H	7.96

Release date

2018-04-24

Citation

DNA Minor Groove-Induced cis-trans Isomerization of a Near-Infrared Fluorescent Probe
Ganguly, S., Murugan, N.A., Ghosh, D., Narayanaswamy, N., Govindaraju, T., Basu, G.
Biochemistry (2021), 60, 2084-2097, PubMed 34142803 , DOI 10.1021/acs.biochem.1c00281 , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail