BMRB: 34774

An i-motif domain able to undergo pH-dependent conformational transitions (neutral structure)

Authors

Serrano-Chacon, I., Mir, B., Colizzi, F., Cupellini, L., Orozco, M., Escaja, N., Gonzalez, C.

Assembly

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

Entity

1. DNA (5'-D(*CP*(DNR)P*GP*TP*TP*CP*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*CP*CP*GP*T)-3') (polymer, Thiol state: not present), 22 monomers, 6692.235 Da Detail

CXGTTCXGTT TTTCCGTTCC GT

Formula weight

6692.235 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 172 assignments Detail

Download

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	DC	H1'	H	6.230	0.001
2	1	1	DC	H2'	H	2.335	0.001
3	1	1	DC	H2''	H	2.534	0.003
4	1	1	DC	H3'	H	4.832	0.001
5	1	1	DC	H5	H	5.998	0.000
6	1	1	DC	H6	H	7.853	0.003
7	1	2	DNR	H1'	H	6.234	0.002
8	1	2	DNR	H2'	H	1.017	0.002
9	1	2	DNR	H2''	H	2.184	0.001
10	1	2	DNR	H3'	H	4.682	0.001
11	1	2	DNR	H5	H	6.011	0.001
12	1	2	DNR	H6	H	7.462	0.002
13	1	2	DNR	H41	H	8.168	0.009
14	1	2	DNR	H42	H	9.559	0.003
15	1	2	DNR	HN3	H	15.419	0.008
16	1	3	DG	H1	H	11.914	0.002
17	1	3	DG	H1'	H	6.005	0.002
18	1	3	DG	H2'	H	2.996	0.002
19	1	3	DG	H2''	H	2.683	0.004
20	1	3	DG	H3'	H	5.071	0.003
21	1	3	DG	H8	H	8.229	0.001
22	1	3	DG	H21	H	6.533	0.000
23	1	3	DG	H22	H	8.213	0.004
24	1	4	DT	H1'	H	6.118	0.002
25	1	4	DT	H2'	H	2.036	0.000
26	1	4	DT	H2''	H	2.344	0.014
27	1	4	DT	H3'	H	4.803	0.000
28	1	4	DT	H6	H	7.622	0.000
29	1	4	DT	H71	H	1.740	0.001
30	1	4	DT	H72	H	1.740	0.001
31	1	4	DT	H73	H	1.740	0.001
32	1	5	DT	H1'	H	6.472	0.002
33	1	5	DT	H2'	H	2.282	0.000
34	1	5	DT	H2''	H	2.556	0.004
35	1	5	DT	H3'	H	4.661	0.000
36	1	5	DT	H6	H	7.842	0.000
37	1	5	DT	H71	H	1.943	0.001
38	1	5	DT	H72	H	1.943	0.001
39	1	5	DT	H73	H	1.943	0.001
40	1	6	DC	H1'	H	6.320	0.002
41	1	6	DC	H2'	H	2.456	0.005
42	1	6	DC	H2''	H	2.456	0.002
43	1	6	DC	H3'	H	4.841	0.005
44	1	6	DC	H5	H	6.123	0.000
45	1	6	DC	H6	H	7.906	0.002
46	1	6	DC	H41	H	7.392	0.009
47	1	6	DC	H42	H	8.569	0.003
48	1	7	DNR	H1'	H	6.199	0.002
49	1	7	DNR	H2'	H	0.854	0.003
50	1	7	DNR	H2''	H	2.080	0.001
51	1	7	DNR	H3'	H	4.680	0.005
52	1	7	DNR	H5	H	5.861	0.001
53	1	7	DNR	H6	H	7.400	0.002
54	1	7	DNR	H41	H	7.802	0.009
55	1	7	DNR	H42	H	9.764	0.003
56	1	7	DNR	HN3	H	15.409	0.008
57	1	8	DG	H1	H	13.424	0.002
58	1	8	DG	H1'	H	6.040	0.001
59	1	8	DG	H2'	H	3.032	0.002
60	1	8	DG	H2''	H	2.692	0.001
61	1	8	DG	H3'	H	5.122	0.002
62	1	8	DG	H8	H	8.256	0.002
63	1	8	DG	H21	H	7.663	0.000
64	1	8	DG	H22	H	7.953	0.004
65	1	9	DT	H1'	H	5.982	0.001
66	1	9	DT	H2'	H	2.033	0.000
67	1	9	DT	H2''	H	2.362	0.000
68	1	9	DT	H3'	H	4.804	0.002
69	1	9	DT	H6	H	7.612	0.000
70	1	9	DT	H71	H	1.165	0.000
71	1	9	DT	H72	H	1.165	0.000
72	1	9	DT	H73	H	1.165	0.000
73	1	10	DT	H1'	H	6.122	0.001
74	1	10	DT	H2'	H	2.413	0.000
75	1	10	DT	H2''	H	2.512	0.000
76	1	10	DT	H3'	H	4.874	0.002
77	1	10	DT	H6	H	7.632	0.000
78	1	10	DT	H71	H	1.822	0.000
79	1	10	DT	H72	H	1.822	0.000
80	1	10	DT	H73	H	1.822	0.000
81	1	11	DT	H1'	H	6.312	0.001
82	1	11	DT	H2'	H	2.403	0.000
83	1	11	DT	H2''	H	2.542	0.000
84	1	11	DT	H3'	H	4.904	0.002
85	1	11	DT	H6	H	7.702	0.000
86	1	11	DT	H71	H	1.908	0.000
87	1	11	DT	H72	H	1.908	0.000
88	1	11	DT	H73	H	1.908	0.000
89	1	12	DT	H1'	H	6.342	0.001
90	1	12	DT	H2'	H	2.383	0.000
91	1	12	DT	H2''	H	2.582	0.000
92	1	12	DT	H3'	H	4.934	0.002
93	1	12	DT	H6	H	7.732	0.000
94	1	12	DT	H71	H	1.922	0.000
95	1	12	DT	H72	H	1.922	0.000
96	1	12	DT	H73	H	1.922	0.000
97	1	13	DT	H1'	H	6.342	0.001
98	1	13	DT	H2'	H	2.373	0.000
99	1	13	DT	H2''	H	2.592	0.000
100	1	13	DT	H3'	H	4.954	0.002
101	1	13	DT	H6	H	7.742	0.000
102	1	13	DT	H71	H	1.932	0.000
103	1	13	DT	H72	H	1.932	0.000
104	1	13	DT	H73	H	1.932	0.000
105	1	14	DC	H1'	H	6.348	0.002
106	1	14	DC	H2'	H	2.415	0.004
107	1	14	DC	H2''	H	2.586	0.000
108	1	14	DC	H3'	H	4.962	0.002
109	1	14	DC	H5	H	6.028	0.000
110	1	14	DC	H6	H	7.900	0.002
111	1	15	DC	H1'	H	6.247	0.006
112	1	15	DC	H2'	H	0.099	0.003
113	1	15	DC	H2''	H	2.088	0.000
114	1	15	DC	H3'	H	4.721	0.000
115	1	15	DC	H5	H	6.143	0.000
116	1	15	DC	H6	H	7.518	0.002
117	1	15	DC	H41	H	8.283	0.009
118	1	15	DC	H42	H	9.561	0.003
119	1	16	DG	H1	H	12.301	0.001
120	1	16	DG	H1'	H	6.023	0.002
121	1	16	DG	H2'	H	2.998	0.001
122	1	16	DG	H2''	H	2.693	0.001
123	1	16	DG	H3'	H	5.073	0.002
124	1	16	DG	H8	H	8.227	0.002
125	1	17	DT	H1'	H	6.118	0.002
126	1	17	DT	H2'	H	2.030	0.000
127	1	17	DT	H2''	H	2.343	0.014
128	1	17	DT	H3'	H	4.803	0.000
129	1	17	DT	H6	H	7.638	0.000
130	1	17	DT	H71	H	1.785	0.001
131	1	17	DT	H72	H	1.785	0.001
132	1	17	DT	H73	H	1.785	0.001
133	1	18	DT	H1'	H	6.472	0.002
134	1	18	DT	H2'	H	2.282	0.000
135	1	18	DT	H2''	H	2.566	0.004
136	1	18	DT	H3'	H	4.661	0.000
137	1	18	DT	H6	H	7.842	0.000
138	1	18	DT	H71	H	1.943	0.001
139	1	18	DT	H72	H	1.943	0.001
140	1	18	DT	H73	H	1.943	0.001
141	1	19	DC	H1'	H	6.330	0.002
142	1	19	DC	H2'	H	2.436	0.005
143	1	19	DC	H2''	H	2.481	0.002
144	1	19	DC	H3'	H	4.841	0.005
145	1	19	DC	H5	H	6.123	0.000
146	1	19	DC	H6	H	7.906	0.002
147	1	19	DC	H41	H	7.392	0.009
148	1	19	DC	H42	H	8.569	0.003
149	1	20	DC	H1'	H	6.199	0.002
150	1	20	DC	H2'	H	0.854	0.003
151	1	20	DC	H2''	H	2.080	0.001
152	1	20	DC	H3'	H	4.680	0.005
153	1	20	DC	H5	H	5.861	0.001
154	1	20	DC	H6	H	7.400	0.002
155	1	20	DC	H41	H	7.802	0.009
156	1	20	DC	H42	H	9.759	0.003
157	1	21	DG	H1	H	13.384	0.002
158	1	21	DG	H1'	H	6.010	0.001
159	1	21	DG	H2'	H	2.992	0.002
160	1	21	DG	H2''	H	2.682	0.001
161	1	21	DG	H3'	H	5.082	0.002
162	1	21	DG	H8	H	8.236	0.002
163	1	21	DG	H21	H	7.743	0.000
164	1	21	DG	H22	H	7.923	0.004
165	1	22	DT	H1'	H	5.988	0.001
166	1	22	DT	H2'	H	2.053	0.000
167	1	22	DT	H2''	H	2.192	0.000
168	1	22	DT	H3'	H	4.454	0.002
169	1	22	DT	H6	H	7.652	0.000
170	1	22	DT	H71	H	1.745	0.000
171	1	22	DT	H72	H	1.745	0.000
172	1	22	DT	H73	H	1.745	0.000

Release date

2023-01-04

Citation

pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs
Serrano-Chacon, I., Mir, B., Colizzi, F., Cupellini, L., Orozco, M., Escaja, N., Gonzalez, C.
J. Am. Chem. Soc. (2023), 145, 3696-3705, PubMed 36745195 , DOI 10.1021/jacs.2c13043 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail