BMRB: 34835

G-quadruplex with a 1-nt V-shaped loop from a G-rich sequence with five G-runs

Authors

Vianney, Y.M., Schroeder, N., Jana, J., Weisz, K.

Assembly

DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3')

Entity

1. DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3') (polymer, Thiol state: not present), 22 monomers, 7058.445 Da Detail

GGGTAGGGCG GCGGGGCAGG GT

Formula weight

7058.445 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 150, ¹³C: 39 assignments Detail

Download

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• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DG	H1	H	11.301	0.003	1
2	1	1	DG	H1'	H	5.698	0.002	1
3	1	1	DG	H2'	H	2.086	0.002	1
4	1	1	DG	H2''	H	2.460	0.004	1
5	1	1	DG	H3'	H	4.892	0.002	1
6	1	1	DG	H4'	H	4.163	0.002	1
7	1	1	DG	H8	H	7.297	0.003	1
8	1	1	DG	C5	C	119.643	0.002	1
9	1	1	DG	C8	C	140.412		1
10	1	2	DG	H1	H	11.845	0.005	1
11	1	2	DG	H1'	H	5.899	0.003	1
12	1	2	DG	H2'	H	2.344	0.003	1
13	1	2	DG	H2''	H	2.624	0.004	1
14	1	2	DG	H3'	H	4.968	0.003	1
15	1	2	DG	H8	H	7.594	0.002	1
16	1	2	DG	C5	C	116.988	0.007	1
17	1	2	DG	C8	C	137.681		1
18	1	3	DG	H1'	H	5.544	0.003	1
19	1	3	DG	H2'	H	2.475	0.001	1
20	1	3	DG	H2''	H	2.318	0.004	1
21	1	3	DG	H3'	H	4.778	0.001	1
22	1	3	DG	H4'	H	4.368		1
23	1	3	DG	H8	H	7.930	0.002	1
24	1	3	DG	C5	C	118.306		1
25	1	3	DG	C8	C	138.773		1
26	1	4	DT	H1'	H	5.431	0.002	1
27	1	4	DT	H2'	H	1.648	0.003	1
28	1	4	DT	H2''	H	1.780	0.003	1
29	1	4	DT	H3'	H	4.325	0.004	1
30	1	4	DT	H6	H	6.792	0.001	1
31	1	4	DT	H71	H	1.310	0.001	1
32	1	4	DT	H72	H	1.310	0.001	1
33	1	4	DT	H73	H	1.310	0.001	1
34	1	4	DT	C6	C	138.633		1
35	1	5	DA	H1'	H	6.288	0.002	1
36	1	5	DA	H2	H	7.977	0.002	1
37	1	5	DA	H2'	H	2.701	0.003	1
38	1	5	DA	H2''	H	3.243	0.001	1
39	1	5	DA	H3'	H	4.803	0.001	1
40	1	5	DA	H8	H	8.262	0.002	1
41	1	5	DA	C2	C	155.132		1
42	1	5	DA	C8	C	141.357		1
43	1	6	DG	H1	H	11.242	0.004	1
44	1	6	DG	H1'	H	5.702	0.002	1
45	1	6	DG	H2'	H	2.878	0.002	1
46	1	6	DG	H2''	H	2.719	0.003	1
47	1	6	DG	H3'	H	4.894	0.002	1
48	1	6	DG	H8	H	6.814	0.002	1
49	1	6	DG	C5	C	118.353	0.003	1
50	1	6	DG	C8	C	141.052		1
51	1	7	DG	H1	H	12.001	0.002	1
52	1	7	DG	H1'	H	5.704	0.003	1
53	1	7	DG	H2'	H	2.640	0.003	1
54	1	7	DG	H2''	H	2.554	0.002	1
55	1	7	DG	H3'	H	5.026	0.003	1
56	1	7	DG	H8	H	8.039	0.001	1
57	1	7	DG	C5	C	116.774	0.002	1
58	1	7	DG	C8	C	138.552		1
59	1	8	DG	H1	H	11.270	0.003	1
60	1	8	DG	H1'	H	6.123	0.002	1
61	1	8	DG	H2'	H	2.632	0.002	1
62	1	8	DG	H2''	H	2.760	0.001	1
63	1	8	DG	H3'	H	4.774	0.002	1
64	1	8	DG	H8	H	7.543	0.002	1
65	1	8	DG	C5	C	117.465	0.002	1
66	1	8	DG	C8	C	136.990		1
67	1	9	DC	H1'	H	5.828	0.003	1
68	1	9	DC	H2'	H	1.624	0.002	1
69	1	9	DC	H2''	H	2.203	0.003	1
70	1	9	DC	H3'	H	4.640	0.001	1
71	1	9	DC	H4'	H	4.091	0.002	1
72	1	9	DC	H5	H	5.019	0.007	1
73	1	9	DC	H6	H	7.085	0.001	1
74	1	9	DC	H41	H	7.654	0.001	1
75	1	9	DC	H42	H	6.619	0.002	1
76	1	9	DC	C6	C	141.515		1
77	1	10	DG	H1'	H	6.236	0.003	1
78	1	10	DG	H2'	H	2.483	0.003	1
79	1	10	DG	H2''	H	2.593	0.001	1
80	1	10	DG	H3'	H	4.652	0.001	1
81	1	10	DG	H4'	H	4.018	0.001	1
82	1	10	DG	H5'	H	3.670	0.002	2
83	1	10	DG	H5''	H	3.754	0.004	2
84	1	10	DG	H8	H	7.714	0.001	1
85	1	10	DG	C5	C	119.109		1
86	1	10	DG	C8	C	138.648		1
87	1	11	DG	H1	H	11.106	0.004	1
88	1	11	DG	H1'	H	5.939	0.002	1
89	1	11	DG	H2'	H	2.968	0.003	1
90	1	11	DG	H2''	H	2.976	0.002	1
91	1	11	DG	H3'	H	4.983	0.002	1
92	1	11	DG	H4'	H	4.466	0.003	1
93	1	11	DG	H8	H	6.601	0.002	1
94	1	11	DG	C5	C	118.734	0.002	1
95	1	11	DG	C8	C	139.583		1
96	1	12	DC	H1'	H	6.427	0.002	1
97	1	12	DC	H2'	H	2.329	0.004	1
98	1	12	DC	H2''	H	2.792	0.002	1
99	1	12	DC	H3'	H	4.986	0.002	1
100	1	12	DC	H4'	H	4.673	0.002	1
101	1	12	DC	H5	H	6.173	0.001	1
102	1	12	DC	H5'	H	4.343	0.0	1
103	1	12	DC	H6	H	8.092	0.001	1
104	1	12	DC	C6	C	144.869		1
105	1	13	DG	H1	H	11.749	0.003	1
106	1	13	DG	H1'	H	5.988	0.003	1
107	1	13	DG	H2'	H	2.941	0.002	1
108	1	13	DG	H2''	H	2.933	0.003	1
109	1	13	DG	H3'	H	5.055	0.003	1
110	1	13	DG	H4'	H	4.362	0.002	1
111	1	13	DG	H8	H	7.348	0.002	1
112	1	13	DG	C5	C	119.436	0.006	1
113	1	13	DG	C8	C	141.881		1
114	1	14	DG	H1	H	12.349	0.002	1
115	1	14	DG	H1'	H	5.645	0.002	1
116	1	14	DG	H2'	H	2.756	0.002	1
117	1	14	DG	H2''	H	2.602	0.002	1
118	1	14	DG	H3'	H	5.098	0.002	1
119	1	14	DG	H4'	H	4.432	0.006	1
120	1	14	DG	H5'	H	4.232	0.003	1
121	1	14	DG	H8	H	8.130	0.001	1
122	1	14	DG	C5	C	117.343	0.018	1
123	1	14	DG	C8	C	139.782		1
124	1	15	DG	H1	H	11.211	0.003	1
125	1	15	DG	H1'	H	6.357	0.004	1
126	1	15	DG	H2'	H	2.715	0.004	1
127	1	15	DG	H2''	H	2.537	0.004	1
128	1	15	DG	H3'	H	5.075	0.002	1
129	1	15	DG	H8	H	7.960	0.001	1
130	1	15	DG	C5	C	117.515	0.002	1
131	1	15	DG	C8	C	137.861		1
132	1	16	DG	H1'	H	6.268	0.005	1
133	1	16	DG	H2'	H	2.820	0.004	1
134	1	16	DG	H2''	H	2.647	0.004	1
135	1	16	DG	H3'	H	4.943	0.002	1
136	1	16	DG	H4'	H	4.263	0.0	1
137	1	16	DG	H8	H	7.968	0.002	1
138	1	16	DG	C5	C	119.167		1
139	1	16	DG	C8	C	140.763		1
140	1	17	DC	H1'	H	5.157	0.002	1
141	1	17	DC	H2'	H	1.232	0.002	1
142	1	17	DC	H2''	H	2.171	0.001	1
143	1	17	DC	H3'	H	4.544	0.002	1
144	1	17	DC	H5	H	5.639	0.003	1
145	1	17	DC	H6	H	6.958	0.002	1
146	1	17	DC	H41	H	10.037		1
147	1	17	DC	H42	H	8.123	0.003	1
148	1	17	DC	C6	C	144.127		1
149	1	18	DA	H1'	H	6.345	0.003	1
150	1	18	DA	H2	H	7.856	0.002	1
151	1	18	DA	H2'	H	2.425	0.001	1
152	1	18	DA	H2''	H	2.610	0.003	1
153	1	18	DA	H3'	H	4.697	0.002	1
154	1	18	DA	H8	H	7.994	0.001	1
155	1	18	DA	C2	C	154.774		1
156	1	18	DA	C8	C	142.739		1
157	1	19	DG	H1	H	11.744	0.003	1
158	1	19	DG	H1'	H	6.124	0.002	1
159	1	19	DG	H2'	H	3.352	0.003	1
160	1	19	DG	H2''	H	2.939	0.001	1
161	1	19	DG	H3'	H	4.852	0.002	1
162	1	19	DG	H8	H	7.396	0.002	1
163	1	19	DG	C5	C	119.423	0.007	1
164	1	19	DG	C8	C	142.071		1
165	1	20	DG	H1	H	11.266	0.003	1
166	1	20	DG	H1'	H	5.826	0.002	1
167	1	20	DG	H2'	H	2.694	0.004	1
168	1	20	DG	H2''	H	2.653	0.004	1
169	1	20	DG	H3'	H	5.002	0.001	1
170	1	20	DG	H8	H	7.406	0.002	1
171	1	20	DG	C5	C	119.261	0.003	1
172	1	20	DG	C8	C	141.155		1
173	1	21	DG	H1	H	12.172	0.002	1
174	1	21	DG	H1'	H	6.081	0.004	1
175	1	21	DG	H2'	H	2.564	0.006	1
176	1	21	DG	H2''	H	2.620	0.003	1
177	1	21	DG	H3'	H	4.997	0.001	1
178	1	21	DG	H8	H	8.089	0.002	1
179	1	21	DG	C5	C	117.483	0.002	1
180	1	21	DG	C8	C	138.953		1
181	1	22	DT	H1'	H	5.980	0.003	1
182	1	22	DT	H2'	H	2.175	0.001	1
183	1	22	DT	H2''	H	2.173	0.0	1
184	1	22	DT	H3'	H	4.450	0.005	1
185	1	22	DT	H6	H	7.205	0.002	1
186	1	22	DT	H71	H	1.673	0.001	1
187	1	22	DT	H72	H	1.673	0.001	1
188	1	22	DT	H73	H	1.673	0.001	1
189	1	22	DT	C6	C	138.719		1

Release date

2023-11-06

Citation

Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect
Vianney, Y.M., Schroder, N., Jana, J., Chojetzki, G., Weisz, K.
J. Am. Chem. Soc. (2023), 145, 22194-22205, PubMed 37751488 , DOI 10.1021/jacs.3c08336 , Abstract

Entries sharing articles BMRB: 3 entries Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail