BMRB: 21031

Solution structure of Lewis a [Gal-beta1_3-(Fuc-alpha1_4-)GlcNAc-beta-Me]

Authors

Schubert, M., Aeschbacher, T., Allain, F.

Assembly

Lewis a

Entity

1. Lewis a (polymer, Thiol state: not present), 3 monomers, 543.5154 Da

Formula weight

543.5154 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 29, ¹³C: 20 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	MAG	HM1	H	3.496	0.002	1
2	1	1	MAG	HM2	H	3.496	0.002	1
3	1	1	MAG	HM3	H	3.496	0.002	1
4	1	1	MAG	H1	H	4.426	0.002	1
5	1	1	MAG	H2	H	3.898	0.004	1
6	1	1	MAG	H3	H	4.041	0.004	1
7	1	1	MAG	H4	H	3.726	0.002	1
8	1	1	MAG	H5	H	3.546	0.002	1
9	1	1	MAG	H61	H	3.868	0.002	2
10	1	1	MAG	H62	H	3.983	0.002	2
11	1	1	MAG	HN2	H	8.561	0.002	1
12	1	1	MAG	H81	H	2.028	0.002	1
13	1	1	MAG	H82	H	2.028	0.002	1
14	1	1	MAG	H83	H	2.028	0.002	1
15	1	1	MAG	C1	C	104.584	0.050	1
16	1	1	MAG	C2	C	58.214	0.050	1
17	1	1	MAG	C3	C	78.710	0.050	1
18	1	1	MAG	C4	C	75.002	0.050	1
19	1	1	MAG	C5	C	78.010	0.050	1
20	1	1	MAG	C6	C	62.131	0.050	1
21	1	1	MAG	C8	C	24.909	0.050	1
22	1	1	MAG	CM	C	59.819	0.050	1
23	1	2	GAL	H1	H	4.480	0.002	1
24	1	2	GAL	H2	H	3.477	0.002	1
25	1	2	GAL	H3	H	3.620	0.002	1
26	1	2	GAL	H4	H	3.861	0.002	1
27	1	2	GAL	H5	H	3.565	0.003	1
28	1	2	GAL	H61	H	3.722	0.002	1
29	1	2	GAL	H62	H	3.722	0.002	1
30	1	2	GAL	C1	C	105.704	0.050	1
31	1	2	GAL	C2	C	72.998	0.050	1
32	1	2	GAL	C3	C	74.827	0.050	1
33	1	2	GAL	C4	C	71.034	0.050	1
34	1	2	GAL	C5	C	77.488	0.050	1
35	1	2	GAL	C6	C	64.454	0.050	1
36	1	3	FUC	H1	H	5.019	0.003	1
37	1	3	FUC	H2	H	3.793	0.003	1
38	1	3	FUC	H3	H	3.884	0.002	1
39	1	3	FUC	H4	H	3.784	0.002	1
40	1	3	FUC	H5	H	4.903	0.005	1
41	1	3	FUC	H61	H	1.170	0.002	1
42	1	3	FUC	H62	H	1.170	0.002	1
43	1	3	FUC	H63	H	1.170	0.002	1
44	1	3	FUC	C1	C	100.801	0.050	1
45	1	3	FUC	C2	C	70.346	0.050	1
46	1	3	FUC	C3	C	71.726	0.050	1
47	1	3	FUC	C4	C	74.565	0.050	1
48	1	3	FUC	C5	C	69.614	0.050	1
49	1	3	FUC	C6	C	18.086	0.050	1

Release date

2013-01-16

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

Entries sharing articles BMRB: 4 entries Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail