BMRB: 31143

Wheat Germ Agglutinin (WGA) domain D

Authors

Titaux-Delgado, G.A., del Rio-Portilla, F., Garcia-Hernandez, E.

Assembly

Agglutinin isolectin 3

Entity

1. Agglutinin isolectin 3 (polymer, Thiol state: all disulfide bound), 43 monomers, 4193.643 Da Detail

DKPCGKDAGG RVCTNNYCCS KWGSCGIGPG YCGAGCQSGG CDG

Formula weight

4193.643 Da

Entity Connection

disulfide 4 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS19:SG
2	disulfide	sing	1:CYS13:SG	1:CYS25:SG
3	disulfide	sing	1:CYS18:SG	1:CYS32:SG
4	disulfide	sing	1:CYS36:SG	1:CYS41:SG

Source organism

Triticum aestivum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 204 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	ASP	H	H	8.492	0.020
2	1	1	ASP	HA	H	4.627	0.020
3	1	1	ASP	HB2	H	2.707	0.020
4	1	2	LYS	H	H	8.308	0.020
5	1	2	LYS	HA	H	4.632	0.020
6	1	2	LYS	HB2	H	1.883	0.020
7	1	2	LYS	HB3	H	1.728	0.020
8	1	2	LYS	HG2	H	1.470	0.020
9	1	2	LYS	HG3	H	1.540	0.020
10	1	2	LYS	HD2	H	1.622	0.020
11	1	3	PRO	HA	H	3.836	0.020
12	1	3	PRO	HB2	H	2.456	0.020
13	1	3	PRO	HB3	H	2.082	0.020
14	1	3	PRO	HG2	H	1.870	0.020
15	1	3	PRO	HG3	H	2.006	0.020
16	1	3	PRO	HD2	H	3.726	0.020	2
17	1	3	PRO	HD3	H	3.726	0.020	2
18	1	4	CYS	H	H	8.143	0.020
19	1	4	CYS	HA	H	4.812	0.020
20	1	4	CYS	HB2	H	3.060	0.020
21	1	4	CYS	HB3	H	2.722	0.020
22	1	5	GLY	H	H	8.905	0.020
23	1	5	GLY	HA2	H	3.820	0.020
24	1	5	GLY	HA3	H	3.980	0.020
25	1	6	LYS	H	H	9.166	0.020
26	1	6	LYS	HA	H	4.023	0.020
27	1	6	LYS	HB2	H	1.944	0.020
28	1	6	LYS	HB3	H	1.837	0.020
29	1	6	LYS	HG2	H	1.508	0.020
30	1	6	LYS	HG3	H	1.430	0.020
31	1	6	LYS	HD2	H	1.646	0.020
32	1	6	LYS	HE2	H	2.990	0.020	2
33	1	6	LYS	HE3	H	2.990	0.020	2
34	1	7	ASP	H	H	8.730	0.020
35	1	7	ASP	HA	H	4.839	0.020
36	1	7	ASP	HB2	H	2.958	0.020
37	1	7	ASP	HB3	H	2.552	0.020
38	1	8	ALA	H	H	7.910	0.020
39	1	8	ALA	HA	H	4.705	0.020
40	1	8	ALA	HB1	H	1.072	0.020
41	1	8	ALA	HB2	H	1.072	0.020
42	1	8	ALA	HB3	H	1.072	0.020
43	1	9	GLY	H	H	8.339	0.020
44	1	9	GLY	HA2	H	3.887	0.020	2
45	1	9	GLY	HA3	H	3.887	0.020	2
46	1	10	GLY	H	H	8.064	0.020
47	1	10	GLY	HA2	H	3.336	0.020
48	1	10	GLY	HA3	H	4.097	0.020
49	1	11	ARG	HA	H	4.151	0.020
50	1	11	ARG	HB2	H	1.994	0.020
51	1	11	ARG	HB3	H	1.800	0.020
52	1	11	ARG	HG2	H	1.719	0.020	2
53	1	11	ARG	HG3	H	1.719	0.020	2
54	1	11	ARG	HD2	H	3.270	0.020	2
55	1	11	ARG	HD3	H	3.270	0.020	2
56	1	11	ARG	HE	H	6.969	0.020
57	1	12	VAL	H	H	8.480	0.020
58	1	12	VAL	HA	H	4.389	0.020
59	1	12	VAL	HB	H	2.286	0.020
60	1	12	VAL	HG11	H	1.061	0.020
61	1	12	VAL	HG12	H	1.061	0.020
62	1	12	VAL	HG13	H	1.061	0.020
63	1	12	VAL	HG21	H	0.928	0.020
64	1	12	VAL	HG22	H	0.928	0.020
65	1	12	VAL	HG23	H	0.928	0.020
66	1	13	CYS	H	H	8.818	0.020
67	1	13	CYS	HA	H	4.508	0.020
68	1	13	CYS	HB2	H	2.935	0.020
69	1	13	CYS	HB3	H	3.195	0.020
70	1	15	ASN	H	H	8.979	0.020
71	1	15	ASN	HA	H	4.275	0.020
72	1	15	ASN	HB2	H	2.826	0.020
73	1	15	ASN	HB3	H	2.311	0.020
74	1	16	ASN	H	H	8.666	0.020
75	1	16	ASN	HA	H	4.533	0.020
76	1	16	ASN	HB2	H	3.162	0.020
77	1	16	ASN	HB3	H	2.541	0.020
78	1	16	ASN	HD21	H	7.548	0.020
79	1	16	ASN	HD22	H	6.788	0.020
80	1	17	TYR	H	H	7.883	0.020
81	1	17	TYR	HA	H	4.326	0.020
82	1	17	TYR	HB2	H	3.246	0.020
83	1	17	TYR	HB3	H	2.839	0.020
84	1	17	TYR	HD1	H	6.860	0.020	3
85	1	17	TYR	HD2	H	6.860	0.020	3
86	1	17	TYR	HE1	H	6.773	0.020	3
87	1	17	TYR	HE2	H	6.773	0.020	3
88	1	18	CYS	H	H	8.301	0.020
89	1	18	CYS	HA	H	4.570	0.020
90	1	18	CYS	HB2	H	2.987	0.020
91	1	18	CYS	HB3	H	3.630	0.020
92	1	19	CYS	H	H	8.092	0.020
93	1	19	CYS	HA	H	5.196	0.020
94	1	19	CYS	HB2	H	2.983	0.020	2
95	1	19	CYS	HB3	H	2.983	0.020	2
96	1	21	LYS	H	H	8.935	0.020
97	1	21	LYS	HA	H	3.891	0.020
98	1	21	LYS	HB2	H	1.623	0.020
99	1	21	LYS	HB3	H	1.266	0.020
100	1	21	LYS	HG2	H	0.745	0.020
101	1	21	LYS	HG3	H	0.382	0.020
102	1	21	LYS	HD2	H	1.152	0.020
103	1	21	LYS	HE2	H	2.539	0.020	2
104	1	21	LYS	HE3	H	2.539	0.020	2
105	1	22	TRP	H	H	7.154	0.020
106	1	22	TRP	HA	H	4.840	0.020
107	1	22	TRP	HB2	H	3.046	0.020
108	1	22	TRP	HB3	H	3.530	0.020
109	1	22	TRP	HD1	H	7.227	0.020
110	1	22	TRP	HE1	H	10.211	0.020
111	1	22	TRP	HE3	H	7.658	0.020
112	1	22	TRP	HZ2	H	7.363	0.020
113	1	22	TRP	HZ3	H	7.144	0.020
114	1	23	GLY	H	H	8.186	0.020
115	1	23	GLY	HA2	H	3.740	0.020
116	1	23	GLY	HA3	H	4.231	0.020
117	1	24	SER	H	H	7.472	0.020
118	1	24	SER	HA	H	5.205	0.020
119	1	24	SER	HB2	H	3.964	0.020
120	1	24	SER	HB3	H	3.923	0.020
121	1	25	CYS	H	H	8.881	0.020
122	1	25	CYS	HA	H	5.670	0.020
123	1	25	CYS	HB2	H	2.922	0.020
124	1	25	CYS	HB3	H	3.029	0.020
125	1	26	GLY	H	H	9.098	0.020
126	1	26	GLY	HA2	H	3.447	0.020
127	1	26	GLY	HA3	H	1.851	0.020
128	1	27	ILE	H	H	7.557	0.020
129	1	27	ILE	HA	H	4.759	0.020
130	1	27	ILE	HB	H	1.549	0.020
131	1	27	ILE	HG12	H	1.067	0.020	2
132	1	27	ILE	HG13	H	1.067	0.020	2
133	1	27	ILE	HG21	H	0.700	0.020
134	1	27	ILE	HG22	H	0.700	0.020
135	1	27	ILE	HG23	H	0.700	0.020
136	1	27	ILE	HD11	H	0.425	0.020
137	1	27	ILE	HD12	H	0.425	0.020
138	1	27	ILE	HD13	H	0.425	0.020
139	1	28	GLY	H	H	7.715	0.020
140	1	28	GLY	HA2	H	4.613	0.020
141	1	28	GLY	HA3	H	3.941	0.020
142	1	29	PRO	HA	H	4.379	0.020
143	1	29	PRO	HB2	H	2.417	0.020
144	1	29	PRO	HB3	H	2.120	0.020
145	1	29	PRO	HG2	H	2.012	0.020	2
146	1	29	PRO	HG3	H	2.012	0.020	2
147	1	29	PRO	HD2	H	3.697	0.020
148	1	29	PRO	HD3	H	3.808	0.020
149	1	31	TYR	H	H	7.661	0.020
150	1	31	TYR	HA	H	4.123	0.020
151	1	31	TYR	HB2	H	2.748	0.020
152	1	31	TYR	HB3	H	2.471	0.020
153	1	31	TYR	HD1	H	7.010	0.020	3
154	1	31	TYR	HD2	H	7.010	0.020	3
155	1	31	TYR	HE1	H	6.727	0.020	3
156	1	31	TYR	HE2	H	6.727	0.020	3
157	1	32	CYS	H	H	8.267	0.020
158	1	32	CYS	HA	H	4.995	0.020
159	1	32	CYS	HB2	H	2.773	0.020
160	1	32	CYS	HB3	H	3.401	0.020
161	1	33	GLY	H	H	7.716	0.020
162	1	33	GLY	HA2	H	4.365	0.020
163	1	33	GLY	HA3	H	3.814	0.020
164	1	34	ALA	H	H	8.388	0.020
165	1	34	ALA	HA	H	4.066	0.020
166	1	34	ALA	HB1	H	1.331	0.020
167	1	34	ALA	HB2	H	1.331	0.020
168	1	34	ALA	HB3	H	1.331	0.020
169	1	35	GLY	H	H	8.931	0.020
170	1	35	GLY	HA2	H	3.973	0.020
171	1	35	GLY	HA3	H	3.564	0.020
172	1	36	CYS	H	H	7.968	0.020
173	1	36	CYS	HA	H	4.466	0.020
174	1	36	CYS	HB2	H	2.800	0.020	2
175	1	36	CYS	HB3	H	2.800	0.020	2
176	1	37	GLN	H	H	9.906	0.020
177	1	37	GLN	HA	H	4.373	0.020
178	1	37	GLN	HB2	H	1.613	0.020
179	1	37	GLN	HB3	H	2.159	0.020
180	1	37	GLN	HG2	H	2.279	0.020
181	1	37	GLN	HG3	H	2.368	0.020
182	1	37	GLN	HE21	H	7.778	0.020
183	1	37	GLN	HE22	H	7.755	0.020
184	1	38	SER	H	H	7.544	0.020
185	1	38	SER	HA	H	4.530	0.020
186	1	38	SER	HB2	H	4.351	0.020
187	1	38	SER	HB3	H	3.882	0.020
188	1	39	GLY	H	H	8.863	0.020
189	1	39	GLY	HA2	H	3.636	0.020
190	1	39	GLY	HA3	H	4.288	0.020
191	1	40	GLY	H	H	7.460	0.020
192	1	40	GLY	HA2	H	4.454	0.020
193	1	40	GLY	HA3	H	3.417	0.020
194	1	41	CYS	H	H	8.336	0.020
195	1	41	CYS	HA	H	4.693	0.020
196	1	41	CYS	HB2	H	3.494	0.020
197	1	41	CYS	HB3	H	2.600	0.020
198	1	42	ASP	H	H	9.114	0.020
199	1	42	ASP	HA	H	4.451	0.020
200	1	42	ASP	HB2	H	2.697	0.020
201	1	42	ASP	HB3	H	2.557	0.020
202	1	43	GLY	H	H	8.177	0.020
203	1	43	GLY	HA2	H	3.767	0.020
204	1	43	GLY	HA3	H	3.690	0.020

Release date

2024-02-29

Citation

Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study
Medrano-Cerano, J.L., Cofas-Vargas, L.F., Leyva, E., Rauda-Ceja, J.A., Calderon-Vargas, M., Cano-Sanchez, P., Titaux-Delgado, G., Melchor-Meneses, C.M., Hernandez-Arana, A., Del Rio-Portilla, F., Garcia-Hernandez, E.
Protein Sci. (2024), 33, e5020-e5020, PubMed , DOI:

Related entities 1. Agglutinin isolectin 3, : 4 : 13 : 3 : 186 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail