BMRB: 34833

Three-layered basket-type G-quadruplex from a G-rich sequence with five G-runs

Authors

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

Assembly

DNA (5'-D(*AP*GP*(BG)P*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(*AP*GP*(BG)P*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), 23 monomers, 7450.548 Da Detail

AGXGTAGGGC GGCGGGGCAG GGT

Formula weight

7450.548 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 137, ¹³C: 22 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DA	H1'	H	6.180	0.003	1
2	1	1	DA	H2	H	7.773	0.006	1
3	1	1	DA	H2'	H	2.396	0.002	1
4	1	1	DA	H2''	H	2.680	0.004	1
5	1	1	DA	H3'	H	4.827	0.001	1
6	1	1	DA	H8	H	7.978	0.001	1
7	1	1	DA	C8	C	140.895		1
8	1	2	DG	H1	H	11.531	0.005	1
9	1	2	DG	H1'	H	5.983	0.003	1
10	1	2	DG	H2'	H	3.881	0.004	1
11	1	2	DG	H2''	H	3.161	0.004	1
12	1	2	DG	H3'	H	4.918	0.002	1
13	1	2	DG	H8	H	7.208	0.002	1
14	1	2	DG	C8	C	141.328		1
15	1	4	DG	H1	H	11.556	0.003	1
16	1	4	DG	H1'	H	6.107	0.005	1
17	1	4	DG	H2'	H	2.573	0.002	1
18	1	4	DG	H2''	H	2.804	0.003	1
19	1	4	DG	H3'	H	4.915	0.001	1
20	1	4	DG	H8	H	8.003	0.002	1
21	1	4	DG	C5	C	116.850		1
22	1	4	DG	C8	C	138.467		1
23	1	5	DT	H1'	H	5.136	0.002	1
24	1	5	DT	H2'	H	1.023	0.002	1
25	1	5	DT	H2''	H	1.781	0.003	1
26	1	5	DT	H3'	H	4.376	0.002	1
27	1	5	DT	H6	H	6.714	0.001	1
28	1	5	DT	H71	H	1.592	0.002	1
29	1	5	DT	H72	H	1.592	0.002	1
30	1	5	DT	H73	H	1.592	0.002	1
31	1	5	DT	C6	C	136.646		1
32	1	6	DA	H1'	H	6.093	0.003	1
33	1	6	DA	H2'	H	2.427	0.002	1
34	1	6	DA	H2''	H	2.429	0.003	1
35	1	6	DA	H3'	H	4.563	0.002	1
36	1	6	DA	H4'	H	3.177	0.002	1
37	1	6	DA	H5'	H	2.930	0.002	2
38	1	6	DA	H5''	H	3.263	0.002	2
39	1	6	DA	H8	H	7.901	0.002	1
40	1	6	DA	C8	C	142.369		1
41	1	7	DG	H1	H	11.877	0.002	1
42	1	7	DG	H1'	H	6.030	0.004	1
43	1	7	DG	H2'	H	3.586	0.0	1
44	1	7	DG	H2''	H	2.879	0.002	1
45	1	7	DG	H3'	H	4.789	0.003	1
46	1	7	DG	H8	H	7.379	0.001	1
47	1	7	DG	C8	C	142.153		1
48	1	8	DG	H1	H	11.294	0.003	1
49	1	8	DG	H1'	H	5.690	0.004	1
50	1	8	DG	H2'	H	2.463	0.003	1
51	1	8	DG	H2''	H	2.587	0.005	1
52	1	8	DG	H3'	H	5.002	0.002	1
53	1	8	DG	H8	H	7.859	0.002	1
54	1	8	DG	C8	C	138.062		1
55	1	9	DG	H1	H	11.725	0.003	1
56	1	9	DG	H1'	H	6.153	0.003	1
57	1	9	DG	H2'	H	2.434	0.003	1
58	1	9	DG	H2''	H	2.756	0.003	1
59	1	9	DG	H3'	H	4.955	0.002	1
60	1	9	DG	H8	H	7.695	0.003	1
61	1	9	DG	C8	C	137.443		1
62	1	10	DC	H1'	H	5.231	0.004	1
63	1	10	DC	H2'	H	1.047	0.002	1
64	1	10	DC	H2''	H	1.954	0.003	1
65	1	10	DC	H3'	H	4.521	0.001	1
66	1	10	DC	H5	H	5.699	0.003	1
67	1	10	DC	H6	H	6.983	0.001	1
68	1	10	DC	H41	H	8.366	0.004	1
69	1	10	DC	H42	H	6.914	0.003	1
70	1	10	DC	C6	C	142.380		1
71	1	11	DG	H1'	H	5.628	0.004	1
72	1	11	DG	H2'	H	2.281	0.005	1
73	1	11	DG	H2''	H	2.193	0.002	1
74	1	11	DG	H3'	H	4.652	0.002	1
75	1	11	DG	H8	H	7.703	0.002	1
76	1	11	DG	C8	C	139.332		1
77	1	12	DG	H1'	H	5.739	0.003	1
78	1	12	DG	H2'	H	2.390	0.004	1
79	1	12	DG	H2''	H	2.118	0.001	1
80	1	12	DG	H3'	H	4.519	0.0	1
81	1	12	DG	H8	H	7.738	0.002	1
82	1	12	DG	C8	C	139.000		1
83	1	13	DC	H1'	H	5.499	0.001	1
84	1	13	DC	H2'	H	2.143	0.002	1
85	1	13	DC	H2''	H	2.235	0.002	1
86	1	13	DC	H3'	H	4.504	0.005	1
87	1	13	DC	H5	H	5.315	0.001	1
88	1	13	DC	H6	H	7.097	0.002	1
89	1	14	DG	H1	H	12.530		1
90	1	14	DG	H1'	H	5.981	0.003	1
91	1	14	DG	H2'	H	2.816	0.003	1
92	1	14	DG	H2''	H	2.687	0.002	1
93	1	14	DG	H3'	H	4.907	0.002	1
94	1	14	DG	H8	H	7.868	0.002	1
95	1	14	DG	C8	C	139.751		1
96	1	15	DG	H1	H	11.369	0.003	1
97	1	15	DG	H1'	H	5.916	0.003	1
98	1	15	DG	H2'	H	3.588	0.005	1
99	1	15	DG	H2''	H	2.886	0.004	1
100	1	15	DG	H3'	H	4.974	0.005	1
101	1	15	DG	H8	H	6.873	0.002	1
102	1	15	DG	C8	C	140.504		1
103	1	16	DG	H1	H	10.978	0.003	1
104	1	16	DG	H1'	H	5.752	0.003	1
105	1	16	DG	H2'	H	2.676	0.002	1
106	1	16	DG	H2''	H	2.438	0.003	1
107	1	16	DG	H3'	H	5.056	0.002	1
108	1	16	DG	H8	H	7.236	0.002	1
109	1	16	DG	C8	C	140.181		1
110	1	17	DG	H1	H	11.313	0.003	1
111	1	17	DG	H1'	H	6.127	0.004	1
112	1	17	DG	H2'	H	2.831	0.003	1
113	1	17	DG	H2''	H	2.540	0.001	1
114	1	17	DG	H3'	H	5.073	0.002	1
115	1	17	DG	H8	H	7.849	0.001	1
116	1	17	DG	C8	C	137.899		1
117	1	18	DC	H1'	H	6.200	0.002	1
118	1	18	DC	H2'	H	2.110		1
119	1	18	DC	H2''	H	2.351	0.002	1
120	1	18	DC	H3'	H	4.819	0.002	1
121	1	18	DC	H5	H	6.101		1
122	1	18	DC	H6	H	7.909	0.001	1
123	1	18	DC	C6	C	144.179		1
124	1	19	DA	H1'	H	6.024	0.004	1
125	1	19	DA	H2'	H	2.906	0.003	1
126	1	19	DA	H2''	H	2.907	0.004	1
127	1	19	DA	H3'	H	4.959		1
128	1	19	DA	H8	H	7.496	0.002	1
129	1	19	DA	C8	C	139.715		1
130	1	20	DG	H1	H	10.586	0.003	1
131	1	20	DG	H1'	H	5.927	0.004	1
132	1	20	DG	H2'	H	3.273	0.003	1
133	1	20	DG	H2''	H	2.919	0.005	1
134	1	20	DG	H3'	H	4.951	0.001	1
135	1	20	DG	H8	H	7.315	0.003	1
136	1	20	DG	C8	C	141.651		1
137	1	21	DG	H1	H	11.623	0.003	1
138	1	21	DG	H1'	H	5.661	0.003	1
139	1	21	DG	H2'	H	2.463	0.002	1
140	1	21	DG	H2''	H	2.464	0.001	1
141	1	21	DG	H3'	H	5.016	0.005	1
142	1	21	DG	H8	H	7.804	0.002	1
143	1	21	DG	C8	C	137.764		1
144	1	22	DG	H1	H	11.168	0.003	1
145	1	22	DG	H1'	H	6.195	0.004	1
146	1	22	DG	H2'	H	2.480	0.003	1
147	1	22	DG	H2''	H	2.781	0.002	1
148	1	22	DG	H3'	H	5.041	0.001	1
149	1	22	DG	H8	H	7.186	0.003	1
150	1	22	DG	C8	C	136.142		1
151	1	23	DT	H1'	H	6.381	0.002	1
152	1	23	DT	H2'	H	2.442	0.006	1
153	1	23	DT	H2''	H	2.442	0.006	1
154	1	23	DT	H3'	H	4.658	0.002	1
155	1	23	DT	H6	H	7.781	0.002	1
156	1	23	DT	H71	H	1.999		1
157	1	23	DT	H72	H	1.999		1
158	1	23	DT	H73	H	1.999		1
159	1	23	DT	C6	C	140.198		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