BMRB: 34588

deoxyxylose nucleic acid hairpin

Authors

Mattelaer, C.A., Mohitosh, M., Smets, L., Maiti, M., Schepers, G., Mattelaer, H.P., Rosemeyer, H., Herdewijn, P., Lescrinier, E.

Assembly

deoxyxylose nucleic acid hairpin

Entity

1. deoxyxylose nucleic acid hairpin (polymer, Thiol state: not present), 20 monomers, 2131.414 Da

Formula weight

2131.414 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 167, ¹³C: 66 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	XA	H1p	H	6.293	0.020
2	1	1	XA	H2	H	7.949	0.020
3	1	1	XA	H2p	H	2.806	0.020
4	1	1	XA	H2pp	H	2.738	0.020
5	1	1	XA	H3p	H	4.925	0.020
6	1	1	XA	H4p	H	4.364	0.020
7	1	1	XA	H8	H	7.364	0.020
8	1	1	XA	C1p	C	84.544	0.300
9	1	1	XA	C2	C	150.741	0.300
10	1	1	XA	C4p	C	84.909	0.300
11	1	2	XG	H1	H	13.413	0.020
12	1	2	XG	H1p	H	5.776	0.020
13	1	2	XG	H2p	H	2.589	0.020
14	1	2	XG	H2pp	H	2.093	0.020
15	1	2	XG	H4p	H	4.368	0.020
16	1	2	XG	H5p	H	4.050	0.020
17	1	2	XG	H5pp	H	3.988	0.020
18	1	2	XG	H8	H	8.257	0.020
19	1	2	XG	C1p	C	86.203	0.300
20	1	2	XG	C5p	C	59.720	0.300
21	1	2	XG	C8	C	139.700	0.300
22	1	3	XC	H1p	H	5.841	0.020
23	1	3	XC	H3p	H	4.645	0.020
24	1	3	XC	H4p	H	3.816	0.020
25	1	3	XC	H5	H	5.917	0.020
26	1	3	XC	H5p	H	3.694	0.020
27	1	3	XC	H5pp	H	2.172	0.020
28	1	3	XC	H6	H	7.346	0.020
29	1	3	XC	H41	H	8.208	0.020
30	1	3	XC	H42	H	7.094	0.020
31	1	3	XC	C1p	C	86.023	0.300
32	1	3	XC	C5	C	95.306	0.300
33	1	3	XC	C5p	C	59.464	0.300
34	1	3	XC	C6	C	140.266	0.300
35	1	4	XA	H1p	H	6.377	0.020
36	1	4	XA	H2	H	7.924	0.020
37	1	4	XA	H2p	H	2.646	0.020
38	1	4	XA	H2pp	H	2.587	0.020
39	1	4	XA	H3p	H	4.822	0.020
40	1	4	XA	H4p	H	4.340	0.020
41	1	4	XA	H5p	H	4.203	0.020
42	1	4	XA	H5pp	H	3.816	0.020
43	1	4	XA	H8	H	7.961	0.020
44	1	4	XA	C1p	C	85.969	0.300
45	1	4	XA	C2	C	149.796	0.300
46	1	4	XA	C5p	C	62.482	0.300
47	1	4	XA	C8	C	139.147	0.300
48	1	5	XA	H1p	H	5.942	0.020
49	1	5	XA	H2	H	8.226	0.020
50	1	5	XA	H2p	H	2.569	0.020
51	1	5	XA	H2pp	H	2.380	0.020
52	1	5	XA	H3p	H	4.672	0.020
53	1	5	XA	H4p	H	4.000	0.020
54	1	5	XA	H5p	H	3.867	0.020
55	1	5	XA	H5pp	H	3.043	0.020
56	1	5	XA	H8	H	7.582	0.020
57	1	5	XA	C1p	C	85.843	0.300
58	1	5	XA	C2	C	151.035	0.300
59	1	5	XA	C5p	C	61.795	0.300
60	1	5	XA	C8	C	139.033	0.300
61	1	6	XT	H1p	H	5.674	0.020
62	1	6	XT	H2p	H	2.491	0.020
63	1	6	XT	H3	H	14.435	0.020
64	1	6	XT	H3p	H	4.589	0.020
65	1	6	XT	H4p	H	3.801	0.020
66	1	6	XT	H5p	H	3.637	0.020
67	1	6	XT	H5pp	H	2.267	0.020
68	1	6	XT	H6	H	7.021	0.020
69	1	6	XT	H71	H	1.912	0.020
70	1	6	XT	H72	H	1.912	0.020
71	1	6	XT	H73	H	1.912	0.020
72	1	6	XT	C1p	C	86.131	0.300
73	1	6	XT	C3p	C	74.150	0.300
74	1	6	XT	C5p	C	60.108	0.300
75	1	6	XT	C6	C	137.405	0.300
76	1	7	XC	H1p	H	5.740	0.020
77	1	7	XC	H2p	H	2.479	0.020
78	1	7	XC	H2pp	H	2.441	0.020
79	1	7	XC	H3p	H	4.693	0.020
80	1	7	XC	H5	H	5.840	0.020
81	1	7	XC	H5p	H	4.144	0.020
82	1	7	XC	H5pp	H	3.584	0.020
83	1	7	XC	H6	H	7.444	0.020
84	1	7	XC	H41	H	8.267	0.020
85	1	7	XC	H42	H	6.965	0.020
86	1	7	XC	C1p	C	86.554	0.300
87	1	7	XC	C5	C	95.198	0.300
88	1	7	XC	C5p	C	61.975	0.300
89	1	8	XC	H1p	H	5.756	0.020
90	1	8	XC	H2p	H	2.434	0.020
91	1	8	XC	H3p	H	4.654	0.020
92	1	8	XC	H4p	H	4.224	0.020
93	1	8	XC	H5	H	5.777	0.020
94	1	8	XC	H5p	H	4.075	0.020
95	1	8	XC	H5pp	H	3.739	0.020
96	1	8	XC	H6	H	7.383	0.020
97	1	8	XC	C5	C	94.865	0.300
98	1	8	XC	C5p	C	62.728	0.300
99	1	8	XC	C6	C	140.533	0.300
100	1	9	XC	H1p	H	5.814	0.020
101	1	9	XC	H2pp	H	2.128	0.020
102	1	9	XC	H3p	H	4.660	0.020
103	1	9	XC	H4p	H	3.596	0.020
104	1	9	XC	H5	H	5.619	0.020
105	1	9	XC	H5p	H	3.984	0.020
106	1	9	XC	H5pp	H	3.454	0.020
107	1	9	XC	H6	H	7.428	0.020
108	1	9	XC	C3p	C	73.894	0.300
109	1	9	XC	C5	C	94.440	0.300
110	1	9	XC	C5p	C	61.583	0.300
111	1	9	XC	C6	C	140.266	0.300
112	1	10	XC	H1p	H	5.990	0.020
113	1	10	XC	H2p	H	2.577	0.020
114	1	10	XC	H2pp	H	2.217	0.020
115	1	10	XC	H5	H	5.961	0.020
116	1	10	XC	H5p	H	3.855	0.020
117	1	10	XC	H5pp	H	3.599	0.020
118	1	10	XC	H6	H	7.578	0.020
119	1	10	XC	C5	C	95.875	0.300
120	1	10	XC	C5p	C	64.559	0.300
121	1	10	XC	C6	C	141.042	0.300
122	1	11	XC	H1p	H	6.059	0.020
123	1	11	XC	H2p	H	2.723	0.020
124	1	11	XC	H2pp	H	2.296	0.020
125	1	11	XC	H3p	H	4.807	0.020
126	1	11	XC	H5	H	5.994	0.020
127	1	11	XC	H5p	H	4.131	0.020
128	1	11	XC	H5pp	H	3.947	0.020
129	1	11	XC	H6	H	7.745	0.020
130	1	11	XC	C5	C	95.894	0.300
131	1	11	XC	C5p	C	64.173	0.300
132	1	11	XC	C6	C	141.525	0.300
133	1	12	XC	H1p	H	6.170	0.020
134	1	12	XC	H2p	H	2.756	0.020
135	1	12	XC	H2pp	H	2.549	0.020
136	1	12	XC	H3p	H	4.897	0.020
137	1	12	XC	H4p	H	4.359	0.020
138	1	12	XC	H5	H	6.182	0.020
139	1	12	XC	H5p	H	4.321	0.020
140	1	12	XC	H5pp	H	4.161	0.020
141	1	12	XC	H6	H	7.841	0.020
142	1	12	XC	C2p	C	39.096	0.300
143	1	12	XC	C5	C	95.933	0.300
144	1	12	XC	C5p	C	64.901	0.300
145	1	12	XC	C6	C	141.360	0.300
146	1	13	XG	H1p	H	5.848	0.020
147	1	13	XG	H8	H	7.582	0.020
148	1	13	XG	C8	C	139.230	0.300
149	1	14	XG	H1p	H	5.838	0.020
150	1	14	XG	H3p	H	4.740	0.020
151	1	14	XG	H4p	H	3.980	0.020
152	1	14	XG	H5p	H	4.079	0.020
153	1	14	XG	H5pp	H	3.705	0.020
154	1	14	XG	H8	H	7.100	0.020
155	1	14	XG	C5p	C	63.719	0.300
156	1	14	XG	C8	C	135.297	0.300
157	1	15	XA	H1p	H	6.259	0.020
158	1	15	XA	H2	H	8.159	0.020
159	1	15	XA	H2p	H	2.652	0.020
160	1	15	XA	H2pp	H	2.378	0.020
161	1	15	XA	H3p	H	4.773	0.020
162	1	15	XA	H4p	H	4.233	0.020
163	1	15	XA	H5p	H	4.050	0.020
164	1	15	XA	H5pp	H	3.421	0.020
165	1	15	XA	H8	H	7.782	0.020
166	1	15	XA	C1p	C	86.005	0.300
167	1	15	XA	C5p	C	62.184	0.300
168	1	15	XA	C8	C	138.556	0.300
169	1	16	XT	H1p	H	5.590	0.020
170	1	16	XT	H2p	H	2.433	0.020
171	1	16	XT	H2pp	H	2.492	0.020
172	1	16	XT	H3	H	14.721	0.020
173	1	16	XT	H3p	H	4.601	0.020
174	1	16	XT	H4p	H	3.830	0.020
175	1	16	XT	H5p	H	3.703	0.020
176	1	16	XT	H5pp	H	2.349	0.020
177	1	16	XT	H6	H	6.968	0.020
178	1	16	XT	H71	H	1.923	0.020
179	1	16	XT	H72	H	1.923	0.020
180	1	16	XT	H73	H	1.923	0.020
181	1	16	XT	C1p	C	86.428	0.300
182	1	16	XT	C3p	C	73.188	0.300
183	1	16	XT	C5p	C	60.169	0.300
184	1	16	XT	C6	C	137.203	0.300
185	1	17	XT	H1p	H	5.778	0.020
186	1	17	XT	H3	H	13.293	0.020
187	1	17	XT	H3p	H	4.726	0.020
188	1	17	XT	H5p	H	4.159	0.020
189	1	17	XT	H5pp	H	3.467	0.020
190	1	17	XT	H6	H	7.170	0.020
191	1	17	XT	H71	H	1.923	0.020
192	1	17	XT	H72	H	1.923	0.020
193	1	17	XT	H73	H	1.923	0.020
194	1	17	XT	C1p	C	85.987	0.300
195	1	17	XT	C5p	C	61.243	0.300
196	1	17	XT	C6	C	137.375	0.300
197	1	18	XG	H1	H	13.157	0.020
198	1	18	XG	H1p	H	5.848	0.020
199	1	18	XG	H2p	H	2.538	0.020
200	1	18	XG	H3p	H	4.733	0.020
201	1	18	XG	H4p	H	4.238	0.020
202	1	18	XG	H5p	H	4.146	0.020
203	1	18	XG	H5pp	H	3.858	0.020
204	1	18	XG	H8	H	7.489	0.020
205	1	18	XG	C1p	C	85.681	0.300
206	1	18	XG	C5p	C	62.893	0.300
207	1	18	XG	C8	C	135.924	0.300
208	1	19	XC	H1p	H	5.666	0.020
209	1	19	XC	H2p	H	2.482	0.020
210	1	19	XC	H3p	H	4.636	0.020
211	1	19	XC	H4p	H	4.404	0.020
212	1	19	XC	H5	H	5.830	0.020
213	1	19	XC	H5p	H	4.104	0.020
214	1	19	XC	H5pp	H	3.848	0.020
215	1	19	XC	H6	H	7.195	0.020
216	1	19	XC	H41	H	8.416	0.020
217	1	19	XC	H42	H	7.175	0.020
218	1	19	XC	C1p	C	86.626	0.300
219	1	19	XC	C3p	C	73.257	0.300
220	1	19	XC	C5	C	95.135	0.300
221	1	19	XC	C5p	C	62.762	0.300
222	1	19	XC	C6	C	140.254	0.300
223	1	20	XT	H1p	H	5.834	0.020
224	1	20	XT	H2p	H	2.590	0.020
225	1	20	XT	H2pp	H	2.086	0.020
226	1	20	XT	H3p	H	4.408	0.020
227	1	20	XT	H6	H	7.364	0.020
228	1	20	XT	H71	H	1.765	0.020
229	1	20	XT	H72	H	1.765	0.020
230	1	20	XT	H73	H	1.765	0.020
231	1	20	XT	C1p	C	86.221	0.300
232	1	20	XT	C3p	C	68.446	0.300
233	1	20	XT	C6	C	136.674	0.300

Release date

2021-02-02

Citation

Stable Hairpin Structures Formed by Xylose-Based Nucleic Acids
Mattelaer, C.A., Maiti, M., Smets, L., Maiti, M., Schepers, G., Mattelaer, H.P., Rosemeyer, H., Herdewijn, P., Lescrinier, E.
Chembiochem. (2021), 22, 1638-1645, PubMed 33427360 , DOI 10.1002/cbic.202000803 , Abstract

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail