BMRB: 34772

An i-motif domain able to undergo pH-dependent conformational transitions (acidic 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*(DNR)P*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*(DNR)P*CP*GP*T)-3')

Entity

1. DNA (5'-D(*CP*(DNR)P*GP*TP*TP*(DNR)P*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*(DNR)P*CP*GP*T)-3') (polymer, Thiol state: not present), 22 monomers, 6694.251 Da Detail

CXGTTXXGTT TTTCCGTTXC GT

Formula weight

6694.251 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 183 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	DC	H1'	H	6.540	0.004
2	1	1	DC	H2'	H	2.083	0.002
3	1	1	DC	H2''	H	2.545	0.000
4	1	1	DC	H3'	H	4.730	0.001
5	1	1	DC	H5	H	5.978	0.004
6	1	1	DC	H6	H	7.952	0.003
7	1	1	DC	H41	H	8.522	0.004
8	1	1	DC	H42	H	9.408	0.003
9	1	2	DNR	H1'	H	6.110	0.003
10	1	2	DNR	H2'	H	1.552	0.001
11	1	2	DNR	H2''	H	2.392	0.002
12	1	2	DNR	H3'	H	4.628	0.001
13	1	2	DNR	H5	H	5.842	0.005
14	1	2	DNR	H6	H	7.531	0.001
15	1	2	DNR	H41	H	8.425	0.003
16	1	2	DNR	H42	H	9.669	0.004
17	1	2	DNR	HN3	H	15.329	0.008
18	1	3	DG	H1	H	10.398	0.002
19	1	3	DG	H1'	H	5.808	0.002
20	1	3	DG	H2'	H	2.875	0.002
21	1	3	DG	H2''	H	2.623	0.004
22	1	3	DG	H8	H	8.279	0.001
23	1	3	DG	H21	H	6.501	0.000
24	1	3	DG	H22	H	8.626	0.004
25	1	4	DT	H1'	H	5.886	0.002
26	1	4	DT	H2'	H	2.206	0.001
27	1	4	DT	H2''	H	2.643	0.004
28	1	4	DT	H3'	H	4.841	0.003
29	1	4	DT	H6	H	7.613	0.001
30	1	4	DT	H71	H	1.616	0.003
31	1	4	DT	H72	H	1.616	0.003
32	1	4	DT	H73	H	1.616	0.003
33	1	5	DT	H1'	H	6.497	0.006
34	1	5	DT	H2'	H	2.387	0.001
35	1	5	DT	H2''	H	2.620	0.001
36	1	5	DT	H3	H	11.415	0.004
37	1	5	DT	H3'	H	4.934	0.000
38	1	5	DT	H6	H	7.791	0.001
39	1	5	DT	H71	H	2.051	0.002
40	1	5	DT	H72	H	2.051	0.002
41	1	5	DT	H73	H	2.051	0.002
42	1	6	DNR	H1'	H	6.535	0.011
43	1	6	DNR	H2'	H	2.006	0.002
44	1	6	DNR	H2''	H	2.543	0.002
45	1	6	DNR	H3'	H	4.932	0.003
46	1	6	DNR	H5	H	6.085	0.005
47	1	6	DNR	H6	H	7.926	0.007
48	1	6	DNR	H41	H	8.495	0.000
49	1	6	DNR	H42	H	9.173	0.004
50	1	6	DNR	HN3	H	15.654	0.002
51	1	7	DNR	H1'	H	6.034	0.005
52	1	7	DNR	H2'	H	1.463	0.001
53	1	7	DNR	H2''	H	2.270	0.000
54	1	7	DNR	H3'	H	4.596	0.002
55	1	7	DNR	H5	H	6.074	0.004
56	1	7	DNR	H6	H	7.536	0.001
57	1	7	DNR	H41	H	7.693	0.005
58	1	7	DNR	H42	H	9.201	0.005
59	1	8	DG	H1	H	9.795	0.000
60	1	8	DG	H1'	H	5.980	0.004
61	1	8	DG	H2'	H	2.879	0.003
62	1	8	DG	H2''	H	2.584	0.000
63	1	8	DG	H3'	H	5.113	0.000
64	1	8	DG	H8	H	8.166	0.001
65	1	9	DT	H1'	H	6.056	0.004
66	1	9	DT	H2'	H	2.035	0.004
67	1	9	DT	H2''	H	2.372	0.002
68	1	9	DT	H3'	H	4.865	0.000
69	1	9	DT	H6	H	7.624	0.001
70	1	9	DT	H71	H	1.762	0.006
71	1	9	DT	H72	H	1.762	0.006
72	1	9	DT	H73	H	1.762	0.006
73	1	10	DT	H1'	H	6.299	0.000
74	1	10	DT	H2'	H	2.401	0.000
75	1	10	DT	H2''	H	2.551	0.000
76	1	10	DT	H3	H	11.224	0.003
77	1	10	DT	H3'	H	4.903	0.000
78	1	10	DT	H6	H	7.616	0.001
79	1	10	DT	H71	H	1.939	0.016
80	1	10	DT	H72	H	1.939	0.016
81	1	10	DT	H73	H	1.939	0.016
82	1	11	DT	H1'	H	6.224	0.000
83	1	11	DT	H2'	H	2.383	0.000
84	1	11	DT	H2''	H	2.530	0.000
85	1	11	DT	H3'	H	4.882	0.000
86	1	11	DT	H6	H	6.228	0.001
87	1	11	DT	H71	H	1.878	0.000
88	1	11	DT	H72	H	1.878	0.000
89	1	11	DT	H73	H	1.878	0.000
90	1	12	DT	H1'	H	6.323	0.000
91	1	12	DT	H2'	H	2.391	0.000
92	1	12	DT	H2''	H	2.571	0.000
93	1	12	DT	H3'	H	4.952	0.000
94	1	12	DT	H6	H	6.326	0.001
95	1	12	DT	H71	H	1.928	0.000
96	1	12	DT	H72	H	1.928	0.000
97	1	12	DT	H73	H	1.928	0.000
98	1	13	DT	H1'	H	6.392	0.006
99	1	13	DT	H2'	H	2.412	0.001
100	1	13	DT	H2''	H	2.598	0.001
101	1	13	DT	H3	H	11.514	0.002
102	1	13	DT	H3'	H	4.999	0.000
103	1	13	DT	H6	H	6.392	0.001
104	1	13	DT	H71	H	1.945	0.003
105	1	13	DT	H72	H	1.945	0.003
106	1	13	DT	H73	H	1.945	0.003
107	1	14	DC	H1'	H	6.539	0.005
108	1	14	DC	H2'	H	1.914	0.001
109	1	14	DC	H2''	H	2.556	0.006
110	1	14	DC	H3'	H	4.879	0.000
111	1	14	DC	H5	H	5.978	0.002
112	1	14	DC	H6	H	8.074	0.001
113	1	14	DC	H41	H	8.500	0.007
114	1	14	DC	H42	H	9.671	0.002
115	1	15	DC	H1'	H	6.098	0.001
116	1	15	DC	H2'	H	1.623	0.006
117	1	15	DC	H2''	H	2.436	0.005
118	1	15	DC	H3+	H	15.294	0.004
119	1	15	DC	H3'	H	4.596	0.001
120	1	15	DC	H5	H	5.891	0.004
121	1	15	DC	H6	H	7.561	0.003
122	1	15	DC	H41	H	8.714	0.003
123	1	15	DC	H42	H	9.807	0.005
124	1	16	DG	H1	H	10.501	0.003
125	1	16	DG	H1'	H	5.814	0.004
126	1	16	DG	H2'	H	2.877	0.000
127	1	16	DG	H2''	H	2.623	0.000
128	1	16	DG	H3'	H	4.884	0.003
129	1	16	DG	H8	H	8.282	0.003
130	1	16	DG	H21	H	6.156	0.007
131	1	16	DG	H22	H	8.628	0.000
132	1	17	DT	H1'	H	5.840	0.002
133	1	17	DT	H2'	H	2.220	0.000
134	1	17	DT	H2''	H	2.640	0.002
135	1	17	DT	H3	H	10.507	0.000
136	1	17	DT	H3'	H	4.832	0.000
137	1	17	DT	H6	H	7.594	0.001
138	1	17	DT	H71	H	1.596	0.001
139	1	17	DT	H72	H	1.596	0.001
140	1	17	DT	H73	H	1.596	0.001
141	1	18	DT	H1'	H	6.479	0.002
142	1	18	DT	H2'	H	2.399	0.001
143	1	18	DT	H2''	H	2.632	0.002
144	1	18	DT	H3	H	11.487	0.002
145	1	18	DT	H3'	H	4.933	0.000
146	1	18	DT	H6	H	7.592	0.001
147	1	18	DT	H71	H	2.057	0.002
148	1	18	DT	H72	H	2.057	0.002
149	1	18	DT	H73	H	2.057	0.002
150	1	19	DNR	H1'	H	6.610	0.004
151	1	19	DNR	H2'	H	2.136	0.001
152	1	19	DNR	H2''	H	2.513	0.000
153	1	19	DNR	H3'	H	4.925	0.000
154	1	19	DNR	H5	H	6.092	0.002
155	1	19	DNR	H6	H	7.980	0.002
156	1	19	DNR	H41	H	8.463	0.002
157	1	19	DNR	H42	H	9.331	0.003
158	1	19	DNR	HN3	H	15.664	0.003
159	1	20	DC	H1'	H	6.053	0.002
160	1	20	DC	H2'	H	1.698	0.003
161	1	20	DC	H2''	H	2.285	0.004
162	1	20	DC	H3'	H	4.724	0.001
163	1	20	DC	H5	H	6.050	0.006
164	1	20	DC	H6	H	7.566	0.003
165	1	20	DC	H41	H	7.775	0.004
166	1	20	DC	H42	H	9.435	0.003
167	1	21	DG	H1	H	9.780	0.004
168	1	21	DG	H1'	H	5.944	0.006
169	1	21	DG	H2'	H	2.857	0.004
170	1	21	DG	H2''	H	2.565	0.000
171	1	21	DG	H3'	H	5.084	0.002
172	1	21	DG	H8	H	8.194	0.002
173	1	21	DG	H21	H	6.436	0.008
174	1	21	DG	H22	H	8.496	0.009
175	1	22	DT	H1'	H	5.946	0.002
176	1	22	DT	H2'	H	2.091	0.001
177	1	22	DT	H2''	H	2.253	0.006
178	1	22	DT	H3	H	10.612	0.003
179	1	22	DT	H3'	H	4.455	0.000
180	1	22	DT	H6	H	7.645	0.002
181	1	22	DT	H71	H	1.753	0.002
182	1	22	DT	H72	H	1.753	0.002
183	1	22	DT	H73	H	1.753	0.002

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