BMRB: 19226

Structure of 2'F-RNA/2'F-ANA chimeric duplex

Authors

Martin-Pintado, N., Deleavey, G., Portella, G., Campos, R., Orozco, M., Damha, M., Gonzalez, C.

Assembly

2'F-RNA/2'F-ANA chimeric duplex

Entity

1. 2'F-RNA/2'F-ANA chimeric duplex (polymer, Thiol state: not present), 12 monomers, 3928.227 × 2 Da

Total weight

7856.454 Da

Max. entity weight

3928.227 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 100 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	CFZ	H1'	H	5.749
2	1	1	CFZ	H2'	H	5.386
3	1	1	CFZ	H3'	H	4.584
4	1	1	CFZ	H4'	H	4.354
5	1	1	CFZ	H5	H	5.958
6	1	1	CFZ	H5'	H	4.062
7	1	1	CFZ	H5'A	H	3.932
8	1	1	CFZ	H6	H	8.009
9	1	2	GF2	H1'	H	5.915
10	1	2	GF2	H2'	H	5.318
11	1	2	GF2	H3'	H	4.823
12	1	2	GF2	H4'	H	4.569
13	1	2	GF2	H5'	H	4.469
14	1	2	GF2	H5'A	H	4.216
15	1	2	GF2	H8	H	7.551
16	1	2	GF2	HN1	H	13.204
17	1	3	CFZ	H1'	H	5.785
18	1	3	CFZ	H2'	H	5.358
19	1	3	CFZ	H3'	H	4.622
20	1	3	CFZ	H4'	H	4.522
21	1	3	CFZ	H5	H	5.365
22	1	3	CFZ	H5'	H	4.192
23	1	3	CFZ	H6	H	7.484
24	1	3	CFZ	HN4	H	6.946
25	1	3	CFZ	HN4A	H	8.529
26	1	4	GF2	H1'	H	6.040
27	1	4	GF2	H2'	H	5.358
28	1	4	GF2	H4'	H	4.560
29	1	4	GF2	H5'	H	4.195
30	1	4	GF2	H5'A	H	4.451
31	1	4	GF2	H8	H	7.520
32	1	4	GF2	HN1	H	12.032
33	1	4	GF2	HN2	H	5.529
34	1	4	GF2	HN2A	H	7.837
35	1	5	AF2	H1'	H	6.080
36	1	5	AF2	H2	H	7.323
37	1	5	AF2	H2'	H	5.364
38	1	5	AF2	H3'	H	4.754
39	1	5	AF2	H4'	H	4.614
40	1	5	AF2	H5'	H	4.194
41	1	5	AF2	H5'A	H	4.479
42	1	5	AF2	H8	H	7.598
43	1	5	AF2	HN6	H	6.935
44	1	5	AF2	HN6A	H	7.705
45	1	6	AF2	H1'	H	6.045
46	1	6	AF2	H2	H	7.883
47	1	6	AF2	H2'	H	5.236
48	1	6	AF2	H3'	H	4.346
49	1	6	AF2	H4'	H	4.553
50	1	6	AF2	H5'	H	4.138
51	1	6	AF2	H5'A	H	4.441
52	1	6	AF2	H8	H	7.363
53	1	6	AF2	HN6	H	7.066
54	1	7	TAF	H71	H	1.292
55	1	7	TAF	H72	H	1.292
56	1	7	TAF	H73	H	1.292
57	1	7	TAF	H1'	H	6.004
58	1	7	TAF	H2'	H	5.428
59	1	7	TAF	H3	H	14.128
60	1	7	TAF	H3'	H	4.691
61	1	7	TAF	H4'	H	4.342
62	1	7	TAF	H5'	H	4.085
63	1	7	TAF	H5''	H	4.262
64	1	7	TAF	H6	H	6.902
65	1	8	UFT	H1'	H	5.984
66	1	8	UFT	H2'	H	5.237
67	1	8	UFT	H4'	H	4.487
68	1	8	UFT	H5	H	5.389
69	1	8	UFT	H6	H	7.523
70	1	8	UFT	HN3	H	13.818
71	1	9	CFL	H1'	H	5.986
72	1	9	CFL	H2'	H	5.399
73	1	9	CFL	H3'	H	4.766
74	1	9	CFL	H4'	H	4.412
75	1	9	CFL	H5	H	5.509
76	1	9	CFL	H5'1	H	4.210
77	1	9	CFL	H5'2	H	4.145
78	1	9	CFL	H6	H	7.438
79	1	9	CFL	HN41	H	6.846
80	1	9	CFL	HN42	H	8.302
81	1	10	GF2	H1'	H	5.909
82	1	10	GF2	H2'	H	5.486
83	1	10	GF2	H4'	H	4.509
84	1	10	GF2	H8	H	7.488
85	1	10	GF2	HN1	H	12.618
86	1	11	CFL	H1'	H	6.004
87	1	11	CFL	H2'	H	5.241
88	1	11	CFL	H3'	H	4.762
89	1	11	CFL	H4'	H	4.370
90	1	11	CFL	H5	H	5.124
91	1	11	CFL	H5'1	H	4.141
92	1	11	CFL	H5'2	H	4.252
93	1	11	CFL	H6	H	7.196
94	1	11	CFL	HN41	H	6.789
95	1	11	CFL	HN42	H	8.488
96	1	12	GF2	H1'	H	6.113
97	1	12	GF2	H2'	H	5.031
98	1	12	GF2	H3'	H	4.506
99	1	12	GF2	H4'	H	4.267
100	1	12	GF2	H8	H	7.484

Release date

2013-09-12

Citation

Backbone FC-H···O hydrogen bonds in 2'F-substituted nucleic acids
Martin-Pintado, N., Deleavey, G.F., Portella, G., Campos-Olivas, R., Orozco, M., Damha, M.J., Gonzalez, C.
Angew. Chem Int Ed Engl. (2013), 52, 12065-12068, PubMed 24115468 , DOI 10.1002/anie.201305710 , Abstract

Experiments performed 4 experiments Detail