BMRB: 34834

(3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs

Authors

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

Assembly

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

Entity

1. DNA (5'-D(*AP*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*(BG)P*GP*TP*AP*CP*GP*GP*GP*T)-3') (polymer, Thiol state: not present), 23 monomers, 7425.535 Da Detail

AGGGTAGGGC GGCGXGTACG GGT

Formula weight

7425.535 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 144, ¹³C: 25 assignments Detail

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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DA	H1'	H	6.124	0.0	1
2	1	1	DA	H2	H	7.743	0.002	1
3	1	1	DA	H2'	H	2.560	0.0	1
4	1	1	DA	H2''	H	2.479	0.001	1
5	1	1	DA	H3'	H	4.761	0.001	1
6	1	1	DA	H4'	H	4.123	0.002	1
7	1	1	DA	H5'	H	3.225	0.002	1
8	1	1	DA	H5''	H	3.378	0.001	1
9	1	1	DA	H8	H	7.851	0.001	1
10	1	1	DA	C2	C	154.103		1
11	1	1	DA	C8	C	143.076		1
12	1	2	DG	H1	H	11.621	0.001	1
13	1	2	DG	H1'	H	6.038	0.001	1
14	1	2	DG	H2'	H	3.472	0.001	1
15	1	2	DG	H2''	H	3.035	0.001	1
16	1	2	DG	H3'	H	4.867	0.001	1
17	1	2	DG	H8	H	7.489	0.001	1
18	1	2	DG	C8	C	142.679		1
19	1	3	DG	H1	H	11.672	0.001	1
20	1	3	DG	H1'	H	5.994	0.001	1
21	1	3	DG	H2'	H	2.484	0.001	1
22	1	3	DG	H2''	H	2.848	0.001	1
23	1	3	DG	H3'	H	5.031	0.0	1
24	1	3	DG	H8	H	7.931	0.001	1
25	1	3	DG	C8	C	137.962		1
26	1	4	DG	H1	H	10.976	0.002	1
27	1	4	DG	H1'	H	6.469	0.002	1
28	1	4	DG	H2'	H	2.599	0.0	1
29	1	4	DG	H2''	H	2.631	0.002	1
30	1	4	DG	H3'	H	5.060	0.001	1
31	1	4	DG	H8	H	7.759	0.002	1
32	1	4	DG	C8	C	137.971		1
33	1	5	DT	H1'	H	6.182	0.002	1
34	1	5	DT	H2'	H	2.161	0.001	1
35	1	5	DT	H2''	H	2.422	0.0	1
36	1	5	DT	H3'	H	4.681	0.003	1
37	1	5	DT	H6	H	7.577	0.0	1
38	1	5	DT	H71	H	1.914	0.001	1
39	1	5	DT	H72	H	1.914	0.001	1
40	1	5	DT	H73	H	1.914	0.001	1
41	1	5	DT	C6	C	139.977		1
42	1	6	DA	H1'	H	6.688	0.002	1
43	1	6	DA	H2	H	8.332	0.002	1
44	1	6	DA	H2'	H	3.057	0.001	1
45	1	6	DA	H2''	H	2.923	0.001	1
46	1	6	DA	H3'	H	5.265	0.002	1
47	1	6	DA	H8	H	8.506	0.001	1
48	1	6	DA	C2	C	155.305		1
49	1	6	DA	C8	C	143.444		1
50	1	7	DG	H1	H	11.556	0.002	1
51	1	7	DG	H1'	H	5.969	0.001	1
52	1	7	DG	H2'	H	3.047	0.001	1
53	1	7	DG	H2''	H	2.966	0.001	1
54	1	7	DG	H3'	H	4.973	0.003	1
55	1	7	DG	H8	H	7.251	0.001	1
56	1	7	DG	C8	C	141.778		1
57	1	8	DG	H1	H	11.599	0.001	1
58	1	8	DG	H1'	H	5.722	0.001	1
59	1	8	DG	H2'	H	2.581	0.001	1
60	1	8	DG	H2''	H	2.478	0.001	1
61	1	8	DG	H3'	H	5.017	0.001	1
62	1	8	DG	H8	H	7.979	0.002	1
63	1	8	DG	C8	C	138.851		1
64	1	9	DG	H1	H	11.151	0.002	1
65	1	9	DG	H1'	H	6.125	0.0	1
66	1	9	DG	H2'	H	2.436	0.0	1
67	1	9	DG	H2''	H	2.782	0.001	1
68	1	9	DG	H3'	H	4.881	0.001	1
69	1	9	DG	H8	H	7.585	0.001	1
70	1	9	DG	C8	C	136.996		1
71	1	10	DC	H1'	H	5.563	0.001	1
72	1	10	DC	H2'	H	1.173	0.0	1
73	1	10	DC	H2''	H	1.921	0.001	1
74	1	10	DC	H3'	H	4.493	0.002	1
75	1	10	DC	H5	H	5.730		1
76	1	10	DC	H6	H	7.224	0.001	1
77	1	10	DC	C6	C	143.099		1
78	1	11	DG	H1'	H	5.726	0.001	1
79	1	11	DG	H2'	H	2.094	0.002	1
80	1	11	DG	H2''	H	2.428	0.001	1
81	1	11	DG	H3'	H	4.479	0.001	1
82	1	11	DG	H8	H	7.735	0.001	1
83	1	11	DG	C8	C	139.538		1
84	1	12	DG	H1'	H	5.715	0.0	1
85	1	12	DG	H2'	H	2.098		1
86	1	12	DG	H2''	H	2.439	0.001	1
87	1	12	DG	H3'	H	4.476	0.001	1
88	1	12	DG	H8	H	7.731	0.001	1
89	1	12	DG	C8	C	139.687		1
90	1	13	DC	H1'	H	5.506	0.001	1
91	1	13	DC	H2'	H	1.826	0.001	1
92	1	13	DC	H2''	H	2.197	0.001	1
93	1	13	DC	H3'	H	4.380	0.002	1
94	1	13	DC	H5	H	5.492		1
95	1	13	DC	H6	H	7.489	0.001	1
96	1	13	DC	C6	C	144.693		1
97	1	14	DG	H1	H	11.385	0.001	1
98	1	14	DG	H1'	H	6.051	0.0	1
99	1	14	DG	H2'	H	3.662	0.0	1
100	1	14	DG	H2''	H	3.146	0.001	1
101	1	14	DG	H3'	H	4.844	0.001	1
102	1	14	DG	H8	H	7.373	0.001	1
103	1	14	DG	C8	C	141.943		1
104	1	15	BGM	H1	H	11.267	0.001	1
105	1	15	BGM	H1'	H	5.784		1
106	1	15	BGM	H2'	H	2.638	0.001	1
107	1	15	BGM	H2''	H	2.560		1
108	1	15	BGM	H3'	H	4.962		1
109	1	16	DG	H1	H	11.495	0.002	1
110	1	16	DG	H1'	H	5.460	0.001	1
111	1	16	DG	H2'	H	2.102	0.001	1
112	1	16	DG	H2''	H	2.203	0.002	1
113	1	16	DG	H3'	H	4.961	0.002	1
114	1	16	DG	H8	H	7.281	0.002	1
115	1	16	DG	C8	C	137.523		1
116	1	17	DT	H1'	H	6.311	0.002	1
117	1	17	DT	H2'	H	1.966	0.001	1
118	1	17	DT	H2''	H	2.462	0.001	1
119	1	17	DT	H3'	H	4.827	0.001	1
120	1	17	DT	H6	H	7.935	0.001	1
121	1	17	DT	H71	H	1.932		1
122	1	17	DT	H72	H	1.932		1
123	1	17	DT	H73	H	1.932		1
124	1	17	DT	C6	C	139.927		1
125	1	18	DA	H1'	H	5.851	0.001	1
126	1	18	DA	H2	H	7.616	0.001	1
127	1	18	DA	H2'	H	2.367	0.001	1
128	1	18	DA	H2''	H	2.431	0.001	1
129	1	18	DA	H3'	H	4.773	0.001	1
130	1	18	DA	H8	H	7.973	0.001	1
131	1	18	DA	C2	C	154.371		1
132	1	18	DA	C8	C	141.455		1
133	1	19	DC	H1'	H	5.713	0.0	1
134	1	19	DC	H2'	H	1.789	0.001	1
135	1	19	DC	H2''	H	2.405	0.001	1
136	1	19	DC	H3'	H	4.616	0.005	1
137	1	19	DC	H5	H	5.727	0.004	1
138	1	19	DC	H6	H	7.497	0.002	1
139	1	19	DC	C6	C	144.458		1
140	1	20	DG	H1	H	11.764	0.002	1
141	1	20	DG	H1'	H	6.041	0.001	1
142	1	20	DG	H2'	H	3.621	0.001	1
143	1	20	DG	H2''	H	3.009	0.001	1
144	1	20	DG	H3'	H	4.822	0.0	1
145	1	20	DG	H8	H	7.522	0.001	1
146	1	20	DG	C8	C	142.224		1
147	1	21	DG	H1	H	11.504	0.001	1
148	1	21	DG	H1'	H	5.796	0.002	1
149	1	21	DG	H2'	H	2.370	0.001	1
150	1	21	DG	H2''	H	2.633	0.003	1
151	1	21	DG	H3'	H	5.015	0.001	1
152	1	21	DG	H8	H	7.843	0.001	1
153	1	21	DG	C8	C	138.480		1
154	1	22	DG	H1	H	10.948	0.001	1
155	1	22	DG	H1'	H	6.164	0.001	1
156	1	22	DG	H2'	H	2.487	0.002	1
157	1	22	DG	H2''	H	2.513	0.001	1
158	1	22	DG	H3'	H	5.025	0.002	1
159	1	22	DG	H8	H	7.521	0.002	1
160	1	22	DG	C8	C	137.352		1
161	1	23	DT	H1'	H	6.240	0.0	1
162	1	23	DT	H2'	H	2.327	0.001	1
163	1	23	DT	H2''	H	2.349	0.001	1
164	1	23	DT	H3'	H	4.537	0.002	1
165	1	23	DT	H6	H	7.652	0.0	1
166	1	23	DT	H71	H	1.927	0.001	1
167	1	23	DT	H72	H	1.927	0.001	1
168	1	23	DT	H73	H	1.927	0.001	1
169	1	23	DT	C6	C	139.946		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