BMRB: 21053

Solution structure of fucosylated LacDiNAc (LDNF)

Authors

Schubert, M., Allain, F., Zierke, M.

Assembly

LDNF (trisaccharide)

Entity

1. LDNF (trisaccharide) (polymer, Thiol state: not present), 4 monomers, 566.5522 Da

Formula weight

566.5522 Da

Source organism

Schistosoma mansoni

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 46, ¹³C: 30 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	SP	H21	H	2.158	0.005	1
2	1	1	SP	H22	H	2.158	0.005	1
3	1	1	SP	H31	H	1.533	0.005	1
4	1	1	SP	H32	H	1.533	0.005	1
5	1	1	SP	H41	H	1.275	0.009	4
6	1	1	SP	H42	H	1.275	0.009	4
7	1	1	SP	H51	H	1.285	0.005	4
8	1	1	SP	H52	H	1.285	0.005	4
9	1	1	SP	H61	H	1.286	0.005	4
10	1	1	SP	H62	H	1.286	0.005	4
11	1	1	SP	H71	H	1.286	0.005	1
12	1	1	SP	H72	H	1.286	0.005	1
13	1	1	SP	H81	H	1.523	0.005	1
14	1	1	SP	H82	H	1.523	0.005	1
15	1	1	SP	H91	H	3.882	0.005	2
16	1	1	SP	H92	H	3.556	0.005	2
17	1	1	SP	C2	C	40.287	0.050	1
18	1	1	SP	C3	C	28.611	0.050	1
19	1	1	SP	C4	C	31.424	0.050	4
20	1	1	SP	C5	C	31.350	0.050	4
21	1	1	SP	C6	C	30.921	0.050	4
22	1	1	SP	C7	C	27.758	0.050	1
23	1	1	SP	C8	C	31.221	0.050	1
24	1	1	SP	C9	C	73.367	0.050	1
25	1	2	MAG	H1	H	4.465	0.005	1
26	1	2	MAG	H2	H	3.890	0.005	1
27	1	2	MAG	H3	H	3.797	0.005	1
28	1	2	MAG	H4	H	3.877	0.005	1
29	1	2	MAG	H5	H	3.492	0.005	1
30	1	2	MAG	H61	H	3.914	0.005	2
31	1	2	MAG	H62	H	3.728	0.005	2
32	1	2	MAG	H81	H	2.012	0.005	1
33	1	2	MAG	H82	H	2.012	0.005	1
34	1	2	MAG	H83	H	2.012	0.005	1
35	1	2	MAG	HN2	H	8.555	0.005	1
36	1	2	MAG	C1	C	103.622	0.050	1
37	1	2	MAG	C2	C	58.384	0.050	1
38	1	2	MAG	C3	C	77.340	0.050	1
39	1	2	MAG	C4	C	75.930	0.050	1
40	1	2	MAG	C5	C	77.923	0.050	1
41	1	2	MAG	C6	C	62.558	0.050	1
42	1	2	MAG	C7	C	176.879	0.050	1
43	1	2	MAG	C8	C	24.885	0.050	1
44	1	3	A2G	H1	H	4.447	0.005	1
45	1	3	A2G	H2	H	3.985	0.005	1
46	1	3	A2G	H3	H	3.698	0.005	1
47	1	3	A2G	H4	H	3.889	0.005	1
48	1	3	A2G	H5	H	3.564	0.005	1
49	1	3	A2G	H61	H	3.756	0.005	2
50	1	3	A2G	H62	H	3.711	0.005	2
51	1	3	A2G	H81	H	2.034	0.005	1
52	1	3	A2G	H82	H	2.034	0.005	1
53	1	3	A2G	H83	H	2.034	0.005	1
54	1	3	A2G	HN2	H	8.460	0.005	1
55	1	3	A2G	C1	C	103.432	0.050	1
56	1	3	A2G	C2	C	54.930	0.050	1
57	1	3	A2G	C3	C	73.389	0.050	1
58	1	3	A2G	C4	C	70.016	0.050	1
59	1	3	A2G	C5	C	77.561	0.050	1
60	1	3	A2G	C6	C	64.245	0.050	1
61	1	3	A2G	C7	C	177.608	0.050	1
62	1	3	A2G	C8	C	24.818	0.050	1
63	1	4	FUC	H1	H	5.112	0.005	1
64	1	4	FUC	H2	H	3.673	0.005	1
65	1	4	FUC	H3	H	3.939	0.005	1
66	1	4	FUC	H4	H	3.823	0.005	1
67	1	4	FUC	H5	H	4.887	0.005	1
68	1	4	FUC	H61	H	1.259	0.005	1
69	1	4	FUC	H62	H	1.259	0.005	1
70	1	4	FUC	H63	H	1.259	0.005	1
71	1	4	FUC	C1	C	101.288	0.050	1
72	1	4	FUC	C2	C	70.281	0.050	1
73	1	4	FUC	C3	C	71.766	0.050	1
74	1	4	FUC	C4	C	74.633	0.050	1
75	1	4	FUC	C5	C	69.647	0.050	1
76	1	4	FUC	C6	C	18.048	0.050	1

Release date

2014-01-29

Citation

A Secondary Structural Element in a Wide Range of Fucosylated Glycoepitopes
Aeschbacher, T., Zierke, M., Smiesko, M., Collot, M., Mallet, J.M., Ernst, B., Allain, F.H., Schubert, M.
Chemistry (2017), 23, 11598-11610, PubMed 28654715 , DOI 10.1002/chem.201701866 , Abstract

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail