BMRB: 34679

10bp DNA/DNA duplex

Authors

Qiang, L., Marko, T., Chaochao, F., Jialiang, C., Yifei, Z., Kuan, L., Hongjun, L., Xuncheng, S., Zhen, X., Janez, P., Chuanzheng, Z.

Assembly

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

Entity

1. DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), entity 1 (polymer, Thiol state: not present), 10 monomers, 3066.964 Da Detail

CCATTATAGC

2. DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), entity 2 (polymer, Thiol state: not present), 10 monomers, 3147.012 Da Detail

GCTATAATGG

Total weight

6213.976 Da

Max. entity weight

3147.012 Da

Source organism

Octodon degus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 188 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	DC	H1'	H	5.960	0.002	1
2	1	1	DC	H2'	H	2.090	0.002	1
3	1	1	DC	H2''	H	2.514	0.001	1
4	1	1	DC	H3'	H	4.660	0.002	1
5	1	1	DC	H4'	H	4.101	0.001	1
6	1	1	DC	H5	H	5.914	0.001	1
7	1	1	DC	H5'	H	3.746	0.002	2
8	1	1	DC	H5''	H	3.746	0.002	2
9	1	1	DC	H6	H	7.751	0.001	1
10	1	2	DC	H1'	H	5.375	0.001	1
11	1	2	DC	H2'	H	2.199	0.001	1
12	1	2	DC	H2''	H	2.440	0.003	1
13	1	2	DC	H3'	H	4.867	0.002	1
14	1	2	DC	H4'	H	4.127	0.001	1
15	1	2	DC	H5	H	5.697	0.001	1
16	1	2	DC	H5'	H	4.005	0.005	1
17	1	2	DC	H5''	H	4.040	0.006	1
18	1	2	DC	H6	H	7.622	0.000	1
19	1	3	DA	H1'	H	6.359	0.001	1
20	1	3	DA	H2	H	7.747	0.000	1
21	1	3	DA	H2'	H	2.824	0.001	1
22	1	3	DA	H2''	H	3.003	0.002	1
23	1	3	DA	H3'	H	5.070	0.003	1
24	1	3	DA	H4'	H	4.488	0.001	1
25	1	3	DA	H5'	H	4.086	0.002	1
26	1	3	DA	H5''	H	4.179	0.004	1
27	1	3	DA	H8	H	8.434	0.001	1
28	1	4	DT	H1'	H	5.929	0.001	1
29	1	4	DT	H2'	H	2.032	0.002	1
30	1	4	DT	H2''	H	2.580	0.004	1
31	1	4	DT	H3'	H	4.832	0.001	1
32	1	4	DT	H4'	H	4.232	0.001	1
33	1	4	DT	H5'	H	4.185	0.002	1
34	1	4	DT	H5''	H	4.362	0.002	1
35	1	4	DT	H6	H	7.245	0.001	1
36	1	4	DT	H71	H	1.433	0.002	2
37	1	4	DT	H72	H	1.433	0.002	2
38	1	4	DT	H73	H	1.433	0.002	2
39	1	5	DT	H1'	H	5.885	0.002	1
40	1	5	DT	H2'	H	2.259	0.003	1
41	1	5	DT	H2''	H	2.613	0.003	1
42	1	5	DT	H3'	H	4.927	0.001	1
43	1	5	DT	H4'	H	4.203	0.002	1
44	1	5	DT	H5'	H	4.189	0.002	1
45	1	5	DT	H5''	H	4.105	0.002	1
46	1	5	DT	H6	H	7.425	0.002	1
47	1	5	DT	H71	H	1.629	0.001	2
48	1	5	DT	H72	H	1.629	0.001	2
49	1	5	DT	H73	H	1.629	0.001	2
50	1	6	DA	H1'	H	6.189	0.001	1
51	1	6	DA	H2	H	7.013	0.001	1
52	1	6	DA	H2'	H	2.627	0.004	1
53	1	6	DA	H2''	H	2.936	0.003	1
54	1	6	DA	H3'	H	5.012	0.002	1
55	1	6	DA	H4'	H	4.431	0.004	1
56	1	6	DA	H5'	H	4.200	0.001	2
57	1	6	DA	H5''	H	4.200	0.001	2
58	1	6	DA	H8	H	8.312	0.000	1
59	1	7	DT	H1'	H	5.556	0.001	1
60	1	7	DT	H2'	H	2.021	0.001	1
61	1	7	DT	H2''	H	2.382	0.001	1
62	1	7	DT	H3'	H	4.857	0.001	1
63	1	7	DT	H4'	H	4.159	0.002	1
64	1	7	DT	H5'	H	4.134	0.002	1
65	1	7	DT	H5''	H	4.281	0.002	1
66	1	7	DT	H6	H	7.164	0.001	1
67	1	7	DT	H71	H	1.337	0.002	2
68	1	7	DT	H72	H	1.337	0.002	2
69	1	7	DT	H73	H	1.337	0.002	2
70	1	8	DA	H1'	H	6.009	0.002	1
71	1	8	DA	H2	H	7.281	0.000	1
72	1	8	DA	H2'	H	2.675	0.004	1
73	1	8	DA	H2''	H	2.856	0.003	1
74	1	8	DA	H3'	H	5.032	0.002	1
75	1	8	DA	H4'	H	4.395	0.003	1
76	1	8	DA	H5'	H	4.152	0.002	1
77	1	8	DA	H5''	H	4.063	0.005	1
78	1	8	DA	H8	H	8.155	0.001	1
79	1	9	DG	H1'	H	5.784	0.001	1
80	1	9	DG	H2'	H	2.453	0.001	1
81	1	9	DG	H2''	H	2.638	0.002	1
82	1	9	DG	H3'	H	4.943	0.002	1
83	1	9	DG	H4'	H	4.350	0.001	1
84	1	9	DG	H5'	H	4.212	0.002	1
85	1	9	DG	H5''	H	4.171	0.001	1
86	1	9	DG	H8	H	7.671	0.001	1
87	1	10	DC	H1'	H	6.101	0.001	1
88	1	10	DC	H2'	H	2.148	0.003	1
89	1	10	DC	H2''	H	2.119	0.002	1
90	1	10	DC	H3'	H	4.455	0.001	1
91	1	10	DC	H4'	H	4.032	0.001	1
92	1	10	DC	H5	H	5.286	0.001	1
93	1	10	DC	H5'	H	4.219	0.001	1
94	1	10	DC	H5''	H	4.244	0.000	1
95	1	10	DC	H6	H	7.369	0.001	1
96	2	1	DG	H1'	H	5.993	0.001	1
97	2	1	DG	H2'	H	2.683	0.002	1
98	2	1	DG	H2''	H	2.772	0.002	1
99	2	1	DG	H3'	H	4.837	0.004	1
100	2	1	DG	H4'	H	4.252	0.002	1
101	2	1	DG	H5'	H	3.725	0.001	2
102	2	1	DG	H5''	H	3.725	0.001	2
103	2	1	DG	H8	H	7.980	0.001	1
104	2	2	DC	H1'	H	6.059	0.001	1
105	2	2	DC	H2'	H	2.152	0.002	1
106	2	2	DC	H2''	H	2.532	0.002	1
107	2	2	DC	H3'	H	4.821	0.002	1
108	2	2	DC	H4'	H	4.258	0.002	1
109	2	2	DC	H5	H	5.318	0.001	1
110	2	2	DC	H5'	H	4.192	0.003	1
111	2	2	DC	H5''	H	4.092	0.000	1
112	2	2	DC	H6	H	7.535	0.001	1
113	2	3	DT	H1'	H	5.676	0.001	1
114	2	3	DT	H2'	H	2.235	0.001	1
115	2	3	DT	H2''	H	2.538	0.002	1
116	2	3	DT	H3'	H	4.900	0.002	1
117	2	3	DT	H4'	H	4.183	0.002	1
118	2	3	DT	H5'	H	4.101	0.002	1
119	2	3	DT	H5''	H	4.176	0.003	1
120	2	3	DT	H6	H	7.448	0.001	1
121	2	3	DT	H71	H	1.655	0.002	2
122	2	3	DT	H72	H	1.655	0.002	2
123	2	3	DT	H73	H	1.655	0.002	2
124	2	4	DA	H1'	H	6.247	0.001	1
125	2	4	DA	H2	H	7.223	0.002	1
126	2	4	DA	H2'	H	2.681	0.007	1
127	2	4	DA	H2''	H	2.950	0.003	1
128	2	4	DA	H3'	H	5.031	0.001	1
129	2	4	DA	H4'	H	4.446	0.002	1
130	2	4	DA	H5'	H	4.179	0.002	1
131	2	4	DA	H5''	H	4.145	0.000	1
132	2	4	DA	H8	H	8.397	0.001	1
133	2	5	DT	H1'	H	5.560	0.002	1
134	2	5	DT	H2'	H	2.049	0.005	1
135	2	5	DT	H2''	H	2.448	0.002	1
136	2	5	DT	H3'	H	4.869	0.003	1
137	2	5	DT	H4'	H	4.181	0.002	1
138	2	5	DT	H5'	H	4.141	0.002	1
139	2	5	DT	H5''	H	4.291	0.001	1
140	2	5	DT	H6	H	7.184	0.002	1
141	2	5	DT	H71	H	1.466	0.001	2
142	2	5	DT	H72	H	1.466	0.001	2
143	2	5	DT	H73	H	1.466	0.001	2
144	2	6	DA	H1'	H	5.953	0.001	1
145	2	6	DA	H2	H	6.477	0.001	1
146	2	6	DA	H2'	H	2.678	0.002	1
147	2	6	DA	H2''	H	2.927	0.003	1
148	2	6	DA	H3'	H	5.047	0.004	1
149	2	6	DA	H4'	H	4.404	0.004	1
150	2	6	DA	H5'	H	4.168	0.002	1
151	2	6	DA	H5''	H	4.118	0.000	1
152	2	6	DA	H8	H	8.207	0.001	1
153	2	7	DA	H1'	H	6.111	0.001	1
154	2	7	DA	H2	H	7.540	0.000	1
155	2	7	DA	H2'	H	2.509	0.002	1
156	2	7	DA	H2''	H	2.879	0.002	1
157	2	7	DA	H3'	H	5.003	0.002	1
158	2	7	DA	H4'	H	4.457	0.000	1
159	2	7	DA	H5'	H	4.273	0.001	1
160	2	7	DA	H5''	H	4.217	0.001	1
161	2	7	DA	H8	H	8.156	0.001	1
162	2	8	DT	H1'	H	5.646	0.001	1
163	2	8	DT	H2'	H	1.740	0.001	1
164	2	8	DT	H2''	H	2.173	0.003	1
165	2	8	DT	H3'	H	4.810	0.001	1
166	2	8	DT	H4'	H	4.090	0.002	1
167	2	8	DT	H5'	H	4.266	0.001	1
168	2	8	DT	H5''	H	4.088	0.000	1
169	2	8	DT	H6	H	6.992	0.001	1
170	2	8	DT	H71	H	1.295	0.003	2
171	2	8	DT	H72	H	1.295	0.003	2
172	2	8	DT	H73	H	1.295	0.003	2
173	2	9	DG	H1'	H	5.570	0.003	1
174	2	9	DG	H2'	H	2.639	0.005	1
175	2	9	DG	H2''	H	2.674	0.004	1
176	2	9	DG	H3'	H	4.946	0.003	1
177	2	9	DG	H4'	H	4.335	0.005	1
178	2	9	DG	H5'	H	4.082	0.004	1
179	2	9	DG	H5''	H	3.997	0.001	1
180	2	9	DG	H8	H	7.809	0.002	1
181	2	10	DG	H1'	H	6.151	0.001	1
182	2	10	DG	H2'	H	2.515	0.002	1
183	2	10	DG	H2''	H	2.331	0.002	1
184	2	10	DG	H3'	H	4.645	0.002	1
185	2	10	DG	H4'	H	4.223	0.001	1
186	2	10	DG	H5'	H	4.098	0.001	2
187	2	10	DG	H5''	H	4.098	0.001	2
188	2	10	DG	H8	H	7.798	0.003	1

Release date

2021-11-21

Citation

4'-SCF(3) -Labeling Constitutes a Sensitive (19) F NMR Probe for Characterization of Interactions in the Minor Groove of DNA
Li, Q., Trajkovski, M., Fan, C., Chen, J., Zhou, Y., Lu, K., Li, H., Su, X., Xi, Z., Plavec, J., Zhou, C.
Angew. Chem Int Ed Engl. (2022), 61, e202201848-e202201848, PubMed 36163470 , DOI 10.1002/anie.202201848 , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail