BMRB: 34714

Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex

Authors

Ghosh, A., Trajkovski, M., Teulade-Fichou, M.P., Gabelica, V., Plavec, J.

Assembly

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

Entity

1. DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), entity 1 (polymer, Thiol state: not present), 23 monomers, 7350.660 Da Detail

TAGGGTTAGG GTTAGGGTTA GGG

2. DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), entity PQ3 (non-polymer), 550.609 Da

Total weight

7901.269 Da

Max. entity weight

7350.66 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 231 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	5.175	0.002	1
2	1	1	DT	H2'	H	0.948	0.004	1
3	1	1	DT	H2''	H	1.462	0.002	1
4	1	1	DT	H3'	H	3.964	0.003	1
5	1	1	DT	H4'	H	3.315	0.003	1
6	1	1	DT	H5'	H	2.951	0.003	2
7	1	1	DT	H5''	H	2.951	0.003	2
8	1	1	DT	H6	H	6.663	0.001	1
9	1	1	DT	H71	H	0.859	0.004	2
10	1	1	DT	H72	H	0.859	0.004	2
11	1	1	DT	H73	H	0.859	0.004	2
12	1	2	DA	H1'	H	5.715	0.005	1
13	1	2	DA	H2	H	7.411	0.001	1
14	1	2	DA	H8	H	7.763	0.005	1
15	1	3	DG	H1'	H	6.026	0.005	1
16	1	3	DG	H2'	H	3.022	0.005	1
17	1	3	DG	H2''	H	2.854	0.004	1
18	1	3	DG	H3'	H	5.630	0.005	1
19	1	3	DG	H4'	H	4.203	0.006	1
20	1	3	DG	H8	H	6.756	0.003	1
21	1	4	DG	H1	H	11.210	0.004	1
22	1	4	DG	H1'	H	5.680	0.005	1
23	1	4	DG	H2'	H	3.184	0.005	1
24	1	4	DG	H2''	H	2.669	0.003	1
25	1	4	DG	H3'	H	4.918	0.005	1
26	1	4	DG	H4'	H	4.352	0.007	1
27	1	4	DG	H8	H	6.654	0.002	1
28	1	5	DG	H1	H	11.240	0.002	1
29	1	5	DG	H1'	H	5.638	0.005	1
30	1	5	DG	H2'	H	2.524	0.005	1
31	1	5	DG	H2''	H	2.434	0.004	1
32	1	5	DG	H3'	H	5.078	0.006	1
33	1	5	DG	H4'	H	4.254	0.006	1
34	1	5	DG	H5'	H	4.150	0.003	2
35	1	5	DG	H5''	H	4.150	0.006	2
36	1	5	DG	H8	H	7.367	0.003	1
37	1	6	DT	H1'	H	6.201	0.004	1
38	1	6	DT	H2'	H	2.243	0.006	1
39	1	6	DT	H2''	H	2.392	0.005	1
40	1	6	DT	H3'	H	4.816	0.007	1
41	1	6	DT	H4'	H	4.333	0.007	1
42	1	6	DT	H5'	H	4.067	0.007	2
43	1	6	DT	H5''	H	4.218	0.004	2
44	1	6	DT	H6	H	7.800	0.001	1
45	1	6	DT	H71	H	1.918	0.003	2
46	1	6	DT	H72	H	1.918	0.003	2
47	1	6	DT	H73	H	1.918	0.003	2
48	1	7	DT	H1'	H	5.716	0.004	1
49	1	7	DT	H2'	H	1.075	0.004	1
50	1	7	DT	H2''	H	1.916	0.006	1
51	1	7	DT	H3'	H	4.601	0.004	1
52	1	7	DT	H4'	H	4.048	0.003	1
53	1	7	DT	H5'	H	3.870	0.001	2
54	1	7	DT	H5''	H	3.810	0.008	2
55	1	7	DT	H6	H	7.110	0.003	1
56	1	7	DT	H71	H	1.521	0.004	2
57	1	7	DT	H72	H	1.521	0.004	2
58	1	7	DT	H73	H	1.521	0.004	2
59	1	8	DA	H1'	H	5.962	0.006	1
60	1	8	DA	H2	H	7.750	0.003	1
61	1	8	DA	H2'	H	2.707	0.005	1
62	1	8	DA	H2''	H	2.605	0.003	1
63	1	8	DA	H3'	H	4.901	0.007	1
64	1	8	DA	H4'	H	4.175	0.004	1
65	1	8	DA	H5'	H	3.892	0.005	2
66	1	8	DA	H5''	H	3.696	0.006	2
67	1	8	DA	H8	H	7.958	0.005	1
68	1	9	DG	H1	H	11.270	0.007	1
69	1	9	DG	H1'	H	5.837	0.005	1
70	1	9	DG	H2'	H	3.312	0.003	1
71	1	9	DG	H2''	H	2.780	0.003	1
72	1	9	DG	H3'	H	4.891	0.005	1
73	1	9	DG	H4'	H	4.265	0.002	1
74	1	9	DG	H8	H	7.189	0.004	1
75	1	10	DG	H1	H	11.360	0.005	1
76	1	10	DG	H1'	H	5.779	0.005	1
77	1	10	DG	H2'	H	2.530	0.006	1
78	1	10	DG	H2''	H	2.581	0.006	1
79	1	10	DG	H3'	H	5.091	0.004	1
80	1	10	DG	H4'	H	4.280	0.001	1
81	1	10	DG	H5'	H	4.151	0.004	2
82	1	10	DG	H5''	H	4.151	0.004	2
83	1	10	DG	H8	H	7.669	0.006	1
84	1	11	DG	H1'	H	5.885	0.006	1
85	1	11	DG	H2'	H	2.814	0.003	1
86	1	11	DG	H2''	H	2.583	0.004	1
87	1	11	DG	H3'	H	4.988	0.004	1
88	1	11	DG	H4'	H	4.501	0.004	1
89	1	11	DG	H5'	H	4.279	0.001	2
90	1	11	DG	H5''	H	4.279	0.001	2
91	1	11	DG	H8	H	8.069	0.006	1
92	1	12	DT	H1'	H	6.328	0.003	1
93	1	12	DT	H2'	H	2.374	0.004	1
94	1	12	DT	H2''	H	2.554	0.005	1
95	1	12	DT	H3'	H	4.887	0.003	1
96	1	12	DT	H4'	H	4.486	0.003	1
97	1	12	DT	H5'	H	4.137	0.003	2
98	1	12	DT	H5''	H	4.211	0.006	2
99	1	12	DT	H6	H	7.762	0.002	1
100	1	12	DT	H71	H	1.932	0.002	2
101	1	12	DT	H72	H	1.932	0.002	2
102	1	12	DT	H73	H	1.932	0.002	2
103	1	13	DT	H1'	H	6.143	0.006	1
104	1	13	DT	H2'	H	1.838	0.004	1
105	1	13	DT	H2''	H	2.188	0.005	1
106	1	13	DT	H3'	H	4.495	0.007	1
107	1	13	DT	H4'	H	4.161	0.003	1
108	1	13	DT	H5'	H	4.036	0.002	2
109	1	13	DT	H5''	H	4.036	0.002	2
110	1	13	DT	H6	H	7.543	0.002	1
111	1	13	DT	H71	H	1.533	0.005	2
112	1	13	DT	H72	H	1.533	0.005	2
113	1	13	DT	H73	H	1.533	0.005	2
114	1	14	DA	H1'	H	5.708	0.006	1
115	1	14	DA	H2	H	7.553	0.003	1
116	1	14	DA	H2'	H	1.805	0.005	1
117	1	14	DA	H2''	H	2.504	0.006	1
118	1	14	DA	H3'	H	4.603	0.007	1
119	1	14	DA	H4'	H	4.048	0.006	1
120	1	14	DA	H5'	H	3.850	0.001	2
121	1	14	DA	H5''	H	3.806	0.004	2
122	1	14	DA	H8	H	7.105	0.004	1
123	1	15	DG	H1	H	10.160	0.004	1
124	1	15	DG	H1'	H	6.111	0.003	1
125	1	15	DG	H2'	H	2.820	0.007	1
126	1	15	DG	H2''	H	2.921	0.005	1
127	1	15	DG	H3'	H	5.460	0.006	1
128	1	15	DG	H4'	H	4.204	0.002	1
129	1	15	DG	H5'	H	4.085	0.000	2
130	1	15	DG	H5''	H	4.085	0.000	2
131	1	15	DG	H8	H	7.507	0.004	1
132	1	16	DG	H1	H	10.540	0.004	1
133	1	16	DG	H1'	H	5.819	0.004	1
134	1	16	DG	H2'	H	2.872	0.002	1
135	1	16	DG	H2''	H	2.580	0.005	1
136	1	16	DG	H3'	H	4.814	0.007	1
137	1	16	DG	H4'	H	4.444	0.007	1
138	1	16	DG	H8	H	7.127	0.004	1
139	1	17	DG	H1	H	11.210	0.001	1
140	1	17	DG	H1'	H	5.710	0.001	1
141	1	17	DG	H2'	H	2.458	0.005	1
142	1	17	DG	H2''	H	2.494	0.001	1
143	1	17	DG	H3'	H	5.077	0.003	1
144	1	17	DG	H4'	H	4.268	0.004	1
145	1	17	DG	H5'	H	4.164	0.005	2
146	1	17	DG	H5''	H	4.164	0.005	2
147	1	17	DG	H8	H	7.364	0.004	1
148	1	18	DT	H1'	H	6.210	0.003	1
149	1	18	DT	H2'	H	2.248	0.007	1
150	1	18	DT	H2''	H	2.384	0.007	1
151	1	18	DT	H3'	H	4.820	0.006	1
152	1	18	DT	H4'	H	4.326	0.006	1
153	1	18	DT	H5'	H	4.070	0.005	2
154	1	18	DT	H5''	H	4.218	0.003	2
155	1	18	DT	H6	H	7.805	0.004	1
156	1	18	DT	H71	H	1.934	0.004	2
157	1	18	DT	H72	H	1.934	0.004	2
158	1	18	DT	H73	H	1.934	0.004	2
159	1	19	DT	H1'	H	5.726	0.007	1
160	1	19	DT	H2'	H	1.086	0.007	1
161	1	19	DT	H2''	H	1.936	0.007	1
162	1	19	DT	H3'	H	4.606	0.005	1
163	1	19	DT	H4'	H	4.053	0.007	1
164	1	19	DT	H5'	H	3.861	0.004	2
165	1	19	DT	H5''	H	3.800	0.004	2
166	1	19	DT	H6	H	7.109	0.002	1
167	1	19	DT	H71	H	1.517	0.003	2
168	1	19	DT	H72	H	1.517	0.003	2
169	1	19	DT	H73	H	1.517	0.003	2
170	1	20	DA	H1'	H	6.020	0.005	1
171	1	20	DA	H2	H	7.781	0.003	1
172	1	20	DA	H2'	H	2.736	0.007	1
173	1	20	DA	H2''	H	2.620	0.006	1
174	1	20	DA	H3'	H	4.908	0.005	1
175	1	20	DA	H4'	H	4.185	0.006	1
176	1	20	DA	H5'	H	3.905	0.006	2
177	1	20	DA	H5''	H	3.711	0.004	2
178	1	20	DA	H8	H	7.995	0.005	1
179	1	21	DG	H1	H	11.220	0.001	1
180	1	21	DG	H1'	H	5.809	0.008	1
181	1	21	DG	H2'	H	3.302	0.007	1
182	1	21	DG	H2''	H	2.767	0.006	1
183	1	21	DG	H3'	H	4.909	0.005	1
184	1	21	DG	H4'	H	4.287	0.004	1
185	1	21	DG	H5'	H	4.157	0.006	2
186	1	21	DG	H5''	H	4.157	0.006	2
187	1	21	DG	H8	H	7.034	0.003	1
188	1	22	DG	H1	H	11.170	0.005	1
189	1	22	DG	H1'	H	5.387	0.004	1
190	1	22	DG	H2'	H	2.674	0.003	1
191	1	22	DG	H2''	H	2.662	0.001	1
192	1	22	DG	H3'	H	5.082	0.003	1
193	1	22	DG	H4'	H	4.269	0.003	1
194	1	22	DG	H5'	H	4.157	0.003	2
195	1	22	DG	H5''	H	4.157	0.003	2
196	1	22	DG	H8	H	8.064	0.003	1
197	1	23	DG	H1	H	10.020	0.002	1
198	1	23	DG	H1'	H	5.598	0.003	1
199	1	23	DG	H2'	H	2.667	0.002	1
200	1	23	DG	H2''	H	2.392	0.004	1
201	1	23	DG	H3'	H	4.513	0.007	1
202	1	23	DG	H4'	H	4.211	0.006	1
203	1	23	DG	H5'	H	4.404	0.004	2
204	1	23	DG	H5''	H	4.120	0.002	2
205	1	23	DG	H8	H	7.504	0.006	1
206	2	1	PQ3	HA	H	12.070	0.002	1
207	2	1	PQ3	HA'	H	12.073	0.002	1
208	2	1	PQ3	HB	H	9.046	0.005	1
209	2	1	PQ3	HB'	H	8.917	0.003	1
210	2	1	PQ3	HC	H	10.060	0.003	1
211	2	1	PQ3	HC'	H	10.280	0.004	1
212	2	1	PQ3	HD	H	7.865	0.003	1
213	2	1	PQ3	HD'	H	7.601	0.005	1
214	2	1	PQ3	HE	H	7.432	0.005	1
215	2	1	PQ3	HE'	H	7.390	0.006	1
216	2	1	PQ3	HF	H	7.106	0.002	1
217	2	1	PQ3	HF'	H	6.920	0.006	1
218	2	1	PQ3	HG	H	7.504	0.004	1
219	2	1	PQ3	HG'	H	7.105	0.001	1
220	2	1	PQ3	HI1	H	4.696	0.007	2
221	2	1	PQ3	HI2	H	4.696	0.007	2
222	2	1	PQ3	HI3	H	4.696	0.007	2
223	2	1	PQ3	HI1'	H	4.512	0.004	2
224	2	1	PQ3	HI2'	H	4.512	0.004	2
225	2	1	PQ3	HI3'	H	4.512	0.004	2
226	2	1	PQ3	HH	H	7.251	0.002	1
227	2	1	PQ3	HH'	H	7.228	0.007	1
228	2	1	PQ3	HJ	H	8.496	0.003	1
229	2	1	PQ3	HJ'	H	8.349	0.003	1
230	2	1	PQ3	HK	H	8.212	0.006	1
231	2	1	PQ3	HK'	H	8.113	0.006	1

Release date

2022-03-28

Citation

Phen-DC(3) Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation
Ghosh, A., Trajkovski, M., Teulade-Fichou, M.P., Gabelica, V., Plavec, J.
Angew. Chem Int Ed Engl. (2022), 61, e202207384-e202207384, PubMed 35993443 , DOI 10.1002/anie.202207384 , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail