BMRB: 34832

Three-layered parallel G-quadruplex with snapback loop from a G-rich sequence with five G-runs

Authors

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

Assembly

DNA (5'-D(*AP*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*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*GP*GP*GP*AP*CP*GP*GP*GP*T)-3') (polymer, Thiol state: not present), 23 monomers, 7371.652 Da Detail

AGGGTAGGGC GGCGGGGACG GGT

Formula weight

7371.652 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 145, ¹³C: 41 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	DA	H1'	H	5.898	0.004	1
2	1	1	DA	H2	H	7.784	0.005	1
3	1	1	DA	H2'	H	2.507	0.002	1
4	1	1	DA	H2''	H	2.622	0.003	1
5	1	1	DA	H3'	H	4.804	0.003	1
6	1	1	DA	H8	H	7.817	0.003	1
7	1	1	DA	C2	C	154.373		1
8	1	1	DA	C8	C	142.508		1
9	1	2	DG	H1	H	11.597	0.002	1
10	1	2	DG	H1'	H	5.988	0.003	1
11	1	2	DG	H2'	H	2.674	0.004	1
12	1	2	DG	H2''	H	2.877	0.002	1
13	1	2	DG	H3'	H	4.992	0.001	1
14	1	2	DG	H8	H	7.907	0.004	1
15	1	2	DG	C5	C	117.212	0.005	1
16	1	2	DG	C8	C	138.179		1
17	1	3	DG	H1	H	11.428	0.002	1
18	1	3	DG	H1'	H	6.111	0.003	1
19	1	3	DG	H2'	H	2.596	0.003	1
20	1	3	DG	H2''	H	2.845	0.005	1
21	1	3	DG	H3'	H	4.998	0.003	1
22	1	3	DG	H8	H	7.664	0.003	1
23	1	3	DG	C5	C	116.793	0.004	1
24	1	3	DG	C8	C	137.374		1
25	1	4	DG	H1	H	11.166	0.003	1
26	1	4	DG	H1'	H	6.379	0.004	1
27	1	4	DG	H2'	H	2.767	0.001	1
28	1	4	DG	H2''	H	2.575	0.004	1
29	1	4	DG	H3'	H	5.042	0.001	1
30	1	4	DG	H8	H	7.834	0.003	1
31	1	4	DG	C5	C	117.587	0.001	1
32	1	4	DG	C8	C	137.597		1
33	1	5	DT	H1'	H	6.234	0.003	1
34	1	5	DT	H2'	H	2.225	0.003	1
35	1	5	DT	H2''	H	2.453	0.003	1
36	1	5	DT	H3'	H	3.937		1
37	1	5	DT	H6	H	7.650	0.004	1
38	1	5	DT	H71	H	1.937		1
39	1	5	DT	H72	H	1.937		1
40	1	5	DT	H73	H	1.937		1
41	1	5	DT	C6	C	140.080		1
42	1	6	DA	H1'	H	6.667	0.004	1
43	1	6	DA	H2	H	8.368	0.004	1
44	1	6	DA	H2'	H	3.052	0.002	1
45	1	6	DA	H2''	H	2.936	0.007	1
46	1	6	DA	H3'	H	5.159	0.002	1
47	1	6	DA	H8	H	8.544	0.004	1
48	1	6	DA	C2	C	155.340		1
49	1	6	DA	C8	C	143.424		1
50	1	7	DG	H1	H	11.912	0.004	1
51	1	7	DG	H1'	H	6.156	0.005	1
52	1	7	DG	H2'	H	2.622	0.004	1
53	1	7	DG	H2''	H	2.966	0.003	1
54	1	7	DG	H3'	H	5.006	0.002	1
55	1	7	DG	H8	H	8.102	0.003	1
56	1	7	DG	C5	C	117.822		1
57	1	7	DG	C8	C	138.403		1
58	1	8	DG	H1	H	11.454	0.002	1
59	1	8	DG	H1'	H	6.200	0.003	1
60	1	8	DG	H2'	H	2.685	0.003	1
61	1	8	DG	H2''	H	2.972	0.003	1
62	1	8	DG	H3'	H	5.015	0.0	1
63	1	8	DG	H8	H	7.781	0.003	1
64	1	8	DG	C5	C	117.008	0.012	1
65	1	8	DG	C8	C	137.787		1
66	1	9	DG	H1	H	10.518	0.003	1
67	1	9	DG	H1'	H	6.394	0.003	1
68	1	9	DG	H2'	H	2.707	0.004	1
69	1	9	DG	H2''	H	2.608	0.004	1
70	1	9	DG	H3'	H	5.118	0.0	1
71	1	9	DG	H8	H	7.774	0.004	1
72	1	9	DG	C5	C	116.961		1
73	1	9	DG	C8	C	137.527		1
74	1	10	DC	H1'	H	6.446	0.004	1
75	1	10	DC	H2'	H	2.417	0.004	1
76	1	10	DC	H2''	H	2.744	0.003	1
77	1	10	DC	H3'	H	5.049	0.002	1
78	1	10	DC	H5	H	6.180		1
79	1	10	DC	H6	H	8.015	0.004	1
80	1	10	DC	C6	C	144.306		1
81	1	11	DG	H1	H	11.747	0.003	1
82	1	11	DG	H1'	H	6.173	0.002	1
83	1	11	DG	H2'	H	2.406	0.003	1
84	1	11	DG	H2''	H	2.919	0.002	1
85	1	11	DG	H3'	H	5.131	0.001	1
86	1	11	DG	H8	H	8.010	0.005	1
87	1	11	DG	C5	C	117.382	0.006	1
88	1	11	DG	C8	C	138.201		1
89	1	12	DG	H1	H	11.283	0.003	1
90	1	12	DG	H1'	H	6.252	0.003	1
91	1	12	DG	H2'	H	2.902	0.003	1
92	1	12	DG	H2''	H	2.738	0.001	1
93	1	12	DG	H3'	H	5.142	0.002	1
94	1	12	DG	H8	H	7.874	0.003	1
95	1	12	DG	C5	C	117.273	0.008	1
96	1	12	DG	C8	C	137.890		1
97	1	13	DC	H1'	H	6.325	0.003	1
98	1	13	DC	H2'	H	2.282	0.002	1
99	1	13	DC	H2''	H	2.724	0.001	1
100	1	13	DC	H3'	H	5.076	0.003	1
101	1	13	DC	H5	H	6.171		1
102	1	13	DC	H6	H	8.034	0.004	1
103	1	13	DC	C6	C	144.542		1
104	1	14	DG	H1	H	11.439	0.004	1
105	1	14	DG	H1'	H	6.085	0.002	1
106	1	14	DG	H2'	H	2.576	0.004	1
107	1	14	DG	H2''	H	2.869	0.005	1
108	1	14	DG	H3'	H	4.899	0.001	1
109	1	14	DG	H8	H	8.260	0.005	1
110	1	14	DG	C5	C	118.530	0.006	1
111	1	14	DG	C8	C	138.675		1
112	1	15	DG	H1	H	11.198	0.004	1
113	1	15	DG	H1'	H	6.021	0.004	1
114	1	15	DG	H2'	H	2.640	0.003	1
115	1	15	DG	H2''	H	2.848	0.003	1
116	1	15	DG	H3'	H	5.031	0.002	1
117	1	15	DG	H8	H	7.866	0.003	1
118	1	15	DG	C5	C	116.532	0.003	1
119	1	15	DG	C8	C	137.938		1
120	1	16	DG	H1	H	11.054	0.002	1
121	1	16	DG	H1'	H	5.835	0.004	1
122	1	16	DG	H2'	H	2.352	0.002	1
123	1	16	DG	H2''	H	2.699	0.002	1
124	1	16	DG	H3'	H	4.949	0.002	1
125	1	16	DG	H8	H	7.407	0.003	1
126	1	16	DG	C5	C	117.130	0.012	1
127	1	16	DG	C8	C	136.747		1
128	1	17	DG	H1	H	12.689	0.005	1
129	1	17	DG	H1'	H	5.532	0.005	1
130	1	17	DG	H2'	H	1.963	0.003	1
131	1	17	DG	H2''	H	2.238	0.001	1
132	1	17	DG	H3'	H	4.839	0.002	1
133	1	17	DG	H8	H	7.327	0.002	1
134	1	17	DG	C5	C	117.511		1
135	1	17	DG	C8	C	136.581		1
136	1	18	DA	H1'	H	5.979	0.003	1
137	1	18	DA	H2	H	7.360	0.004	1
138	1	18	DA	H2'	H	2.713	0.006	1
139	1	18	DA	H2''	H	2.437	0.003	1
140	1	18	DA	H3'	H	4.897	0.002	1
141	1	18	DA	H8	H	8.281	0.002	1
142	1	18	DA	C2	C	152.603		1
143	1	18	DA	C8	C	142.165		1
144	1	19	DC	H1'	H	5.796	0.005	1
145	1	19	DC	H2'	H	1.304	0.003	1
146	1	19	DC	H2''	H	1.741	0.005	1
147	1	19	DC	H3'	H	4.462		1
148	1	19	DC	H5	H	5.978	0.001	1
149	1	19	DC	H6	H	7.510	0.004	1
150	1	19	DC	C6	C	143.645		1
151	1	20	DG	H1'	H	5.544	0.003	1
152	1	20	DG	H2'	H	2.313	0.003	1
153	1	20	DG	H2''	H	1.977	0.002	1
154	1	20	DG	H3'	H	4.190	0.003	1
155	1	20	DG	H4'	H	3.815	0.003	1
156	1	20	DG	H5'	H	3.016	0.003	2
157	1	20	DG	H5''	H	3.503	0.002	2
158	1	20	DG	H8	H	7.207	0.003	1
159	1	20	DG	C5	C	119.096		1
160	1	20	DG	C8	C	142.268		1
161	1	21	DG	H1'	H	5.568	0.003	1
162	1	21	DG	H2'	H	2.180	0.005	1
163	1	21	DG	H2''	H	0.612	0.005	1
164	1	21	DG	H3'	H	4.547	0.001	1
165	1	21	DG	H4'	H	4.136	0.002	1
166	1	21	DG	H8	H	7.506	0.003	1
167	1	21	DG	C5	C	117.960		1
168	1	21	DG	C8	C	137.592		1
169	1	22	DG	H1	H	11.335	0.003	1
170	1	22	DG	H1'	H	6.515	0.003	1
171	1	22	DG	H2'	H	2.245	0.003	1
172	1	22	DG	H2''	H	3.009	0.002	1
173	1	22	DG	H3'	H	5.005	0.002	1
174	1	22	DG	H4'	H	4.787	0.002	1
175	1	22	DG	H8	H	7.531	0.003	1
176	1	22	DG	C5	C	117.873	0.006	1
177	1	22	DG	C8	C	137.072		1
178	1	23	DT	H1'	H	6.322	0.004	1
179	1	23	DT	H2'	H	2.360	0.003	1
180	1	23	DT	H2''	H	2.360	0.008	1
181	1	23	DT	H3'	H	4.626		1
182	1	23	DT	H6	H	7.747	0.003	1
183	1	23	DT	H71	H	1.926	0.005	1
184	1	23	DT	H72	H	1.926	0.005	1
185	1	23	DT	H73	H	1.926	0.005	1
186	1	23	DT	C6	C	140.136		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

Related entities 1. DNA (5'-D(*AP*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*AP*CP*GP*GP*GP*T)-3'), : 77 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail