BMRB: 30928

Solution structure of peptide toxin MIITX2-Mg1a from the venom of the Australian giant red bull ant Myrmecia gulosa

Authors

Chin, Y.K., Eagle, D., Bankala, K., Robinson, S.D.

Assembly

U-myrmeciitoxin(02)-Mg1a

Entity

1. U-myrmeciitoxin(02)-Mg1a (polymer, Thiol state: all disulfide bound), 51 monomers, 5854.331 Da Detail

GDISDYGDPC SDDLKDYCIH GDCFFLKELN QPACRCYTGY YGSRCEHIDH N

Formula weight

5854.331 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS10:SG	1:CYS23:SG
2	disulfide	sing	1:CYS18:SG	1:CYS34:SG
3	disulfide	sing	1:CYS36:SG	1:CYS45:SG

Source organism

Myrmecia gulosa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 302, ¹³C: 200, ¹⁵N: 50 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	HA2	H	3.856	0.000	2
2	1	1	GLY	C	C	169.563	0.000	1
3	1	1	GLY	CA	C	43.472	0.000	1
4	1	2	ASP	H	H	8.609	0.000	1
5	1	2	ASP	HA	H	4.719	0.000	1
6	1	2	ASP	HB2	H	2.623	0.000	2
7	1	2	ASP	HB3	H	2.669	0.000	2
8	1	2	ASP	C	C	176.461	0.000	1
9	1	2	ASP	CA	C	54.155	0.000	1
10	1	2	ASP	CB	C	42.435	0.000	1
11	1	2	ASP	N	N	120.911	0.000	1
12	1	3	ILE	H	H	8.329	0.000	1
13	1	3	ILE	HA	H	3.995	0.000	1
14	1	3	ILE	HB	H	1.796	0.000	1
15	1	3	ILE	HG12	H	1.320	0.000	2
16	1	3	ILE	HG13	H	1.077	0.000	2
17	1	3	ILE	HG21	H	0.778	0.000	1
18	1	3	ILE	HG22	H	0.778	0.000	1
19	1	3	ILE	HG23	H	0.778	0.000	1
20	1	3	ILE	HD11	H	0.782	0.000	1
21	1	3	ILE	HD12	H	0.782	0.000	1
22	1	3	ILE	HD13	H	0.782	0.000	1
23	1	3	ILE	C	C	176.142	0.000	1
24	1	3	ILE	CA	C	62.217	0.000	1
25	1	3	ILE	CB	C	38.676	0.000	1
26	1	3	ILE	CG1	C	27.418	0.027	1
27	1	3	ILE	CG2	C	17.729	0.000	1
28	1	3	ILE	CD1	C	13.712	0.000	1
29	1	3	ILE	N	N	120.549	0.000	1
30	1	4	SER	H	H	8.248	0.000	1
31	1	4	SER	HA	H	4.050	0.000	1
32	1	4	SER	HB2	H	3.548	0.000	2
33	1	4	SER	HB3	H	3.743	0.000	2
34	1	4	SER	C	C	174.557	0.000	1
35	1	4	SER	CA	C	59.477	0.000	1
36	1	4	SER	CB	C	63.465	0.027	1
37	1	4	SER	N	N	118.000	0.000	1
38	1	5	ASP	H	H	8.006	0.000	1
39	1	5	ASP	HA	H	4.441	0.000	1
40	1	5	ASP	HB2	H	2.368	0.000	2
41	1	5	ASP	HB3	H	2.457	0.000	2
42	1	5	ASP	C	C	176.014	0.000	1
43	1	5	ASP	CA	C	54.880	0.000	1
44	1	5	ASP	CB	C	40.754	0.004	1
45	1	5	ASP	N	N	121.501	0.000	1
46	1	6	TYR	H	H	7.678	0.000	1
47	1	6	TYR	HA	H	4.412	0.000	1
48	1	6	TYR	HB2	H	2.599	0.000	2
49	1	6	TYR	HB3	H	2.529	0.000	2
50	1	6	TYR	HD1	H	6.830	0.000	1
51	1	6	TYR	HD2	H	6.830	0.000	1
52	1	6	TYR	HE1	H	6.664	0.000	1
53	1	6	TYR	HE2	H	6.664	0.000	1
54	1	6	TYR	C	C	175.418	0.000	1
55	1	6	TYR	CA	C	57.702	0.000	1
56	1	6	TYR	CB	C	38.779	0.033	1
57	1	6	TYR	CD1	C	132.910	0.000	1
58	1	6	TYR	CE1	C	117.950	0.000	1
59	1	6	TYR	N	N	118.199	0.000	1
60	1	7	GLY	H	H	7.980	0.000	1
61	1	7	GLY	HA2	H	4.293	0.000	2
62	1	7	GLY	HA3	H	3.842	0.000	2
63	1	7	GLY	C	C	172.069	0.000	1
64	1	7	GLY	CA	C	45.192	0.016	1
65	1	7	GLY	N	N	108.526	0.000	1
66	1	8	ASP	H	H	8.548	0.000	1
67	1	8	ASP	HA	H	5.192	0.000	1
68	1	8	ASP	HB2	H	2.843	0.000	2
69	1	8	ASP	HB3	H	2.618	0.000	2
70	1	8	ASP	CA	C	52.746	0.000	1
71	1	8	ASP	CB	C	41.333	0.002	1
72	1	8	ASP	N	N	122.081	0.000	1
73	1	9	PRO	HA	H	4.417	0.000	1
74	1	9	PRO	HB2	H	2.286	0.000	2
75	1	9	PRO	HB3	H	1.751	0.000	2
76	1	9	PRO	HG2	H	2.106	0.000	2
77	1	9	PRO	HG3	H	2.012	0.000	2
78	1	9	PRO	HD2	H	3.673	0.000	2
79	1	9	PRO	HD3	H	4.045	0.000	2
80	1	9	PRO	C	C	176.944	0.000	1
81	1	9	PRO	CA	C	63.003	0.000	1
82	1	9	PRO	CB	C	31.965	0.000	1
83	1	9	PRO	CG	C	27.980	0.008	1
84	1	9	PRO	CD	C	50.422	0.019	1
85	1	10	CYS	H	H	7.916	0.000	1
86	1	10	CYS	HA	H	3.805	0.000	1
87	1	10	CYS	HB2	H	2.682	0.000	1
88	1	10	CYS	HB3	H	3.255	0.000	1
89	1	10	CYS	C	C	173.907	0.000	1
90	1	10	CYS	CA	C	54.738	0.000	1
91	1	10	CYS	CB	C	39.291	0.067	1
92	1	10	CYS	N	N	119.864	0.000	1
93	1	11	SER	H	H	8.016	0.000	1
94	1	11	SER	HA	H	4.305	0.000	1
95	1	11	SER	HB2	H	4.117	0.000	2
96	1	11	SER	HB3	H	3.844	0.000	2
97	1	11	SER	C	C	175.756	0.000	1
98	1	11	SER	CA	C	57.725	0.000	1
99	1	11	SER	CB	C	63.978	0.003	1
100	1	11	SER	N	N	115.861	0.000	1
101	1	12	ASP	H	H	8.792	0.000	1
102	1	12	ASP	HA	H	4.249	0.000	1
103	1	12	ASP	HB2	H	2.639	0.000	2
104	1	12	ASP	C	C	177.534	0.000	1
105	1	12	ASP	CA	C	57.465	0.000	1
106	1	12	ASP	CB	C	40.475	0.000	1
107	1	12	ASP	N	N	121.263	0.000	1
108	1	13	ASP	H	H	8.596	0.000	1
109	1	13	ASP	HA	H	4.359	0.000	1
110	1	13	ASP	HB2	H	2.631	0.000	2
111	1	13	ASP	HB3	H	2.525	0.000	2
112	1	13	ASP	C	C	176.804	0.000	1
113	1	13	ASP	CA	C	55.723	0.000	1
114	1	13	ASP	CB	C	39.217	0.003	1
115	1	13	ASP	N	N	117.506	0.000	1
116	1	14	LEU	H	H	7.573	0.000	1
117	1	14	LEU	HA	H	4.539	0.000	1
118	1	14	LEU	HB2	H	1.880	0.000	2
119	1	14	LEU	HB3	H	1.526	0.000	2
120	1	14	LEU	HG	H	1.393	0.000	1
121	1	14	LEU	HD11	H	0.769	0.000	1
122	1	14	LEU	HD12	H	0.769	0.000	1
123	1	14	LEU	HD13	H	0.769	0.000	1
124	1	14	LEU	HD21	H	0.638	0.000	1
125	1	14	LEU	HD22	H	0.638	0.000	1
126	1	14	LEU	HD23	H	0.638	0.000	1
127	1	14	LEU	C	C	177.393	0.000	1
128	1	14	LEU	CA	C	54.229	0.000	1
129	1	14	LEU	CB	C	43.418	0.051	1
130	1	14	LEU	CG	C	26.966	0.000	1
131	1	14	LEU	CD1	C	25.963	0.000	1
132	1	14	LEU	CD2	C	23.314	0.000	1
133	1	14	LEU	N	N	120.581	0.000	1
134	1	15	LYS	H	H	7.333	0.000	1
135	1	15	LYS	HA	H	4.076	0.000	1
136	1	15	LYS	HB2	H	1.933	0.000	2
137	1	15	LYS	HB3	H	1.801	0.000	2
138	1	15	LYS	HG2	H	1.438	0.000	2
139	1	15	LYS	HG3	H	1.365	0.000	2
140	1	15	LYS	HD2	H	1.676	0.000	2
141	1	15	LYS	HD3	H	1.799	0.000	2
142	1	15	LYS	HE2	H	2.980	0.000	2
143	1	15	LYS	HE3	H	2.980	0.000	2
144	1	15	LYS	C	C	176.610	0.000	1
145	1	15	LYS	CA	C	59.227	0.000	1
146	1	15	LYS	CB	C	32.176	0.025	1
147	1	15	LYS	CG	C	23.958	0.000	1
148	1	15	LYS	CD	C	29.274	0.052	1
149	1	15	LYS	CE	C	42.084	0.000	1
150	1	15	LYS	N	N	120.321	0.000	1
151	1	16	ASP	H	H	8.353	0.000	1
152	1	16	ASP	HA	H	4.669	0.000	1
153	1	16	ASP	HB2	H	2.692	0.000	2
154	1	16	ASP	HB3	H	2.497	0.000	2
155	1	16	ASP	C	C	175.772	0.000	1
156	1	16	ASP	CA	C	53.685	0.000	1
157	1	16	ASP	CB	C	40.432	0.038	1
158	1	16	ASP	N	N	117.543	0.000	1
159	1	17	TYR	H	H	7.792	0.000	1
160	1	17	TYR	HA	H	3.928	0.000	1
161	1	17	TYR	HB2	H	3.111	0.000	2
162	1	17	TYR	HB3	H	2.786	0.000	2
163	1	17	TYR	HD1	H	7.004	0.000	1
164	1	17	TYR	HD2	H	7.004	0.000	1
165	1	17	TYR	HE1	H	6.586	0.000	1
166	1	17	TYR	HE2	H	6.586	0.000	1
167	1	17	TYR	C	C	176.035	0.000	1
168	1	17	TYR	CA	C	62.487	0.000	1
169	1	17	TYR	CB	C	39.774	0.011	1
170	1	17	TYR	CD1	C	133.202	0.000	1
171	1	17	TYR	CE1	C	118.276	0.000	1
172	1	17	TYR	N	N	121.459	0.000	1
173	1	18	CYS	H	H	8.575	0.000	1
174	1	18	CYS	HA	H	4.226	0.000	1
175	1	18	CYS	HB2	H	2.527	0.000	2
176	1	18	CYS	HB3	H	1.785	0.000	2
177	1	18	CYS	C	C	174.053	0.000	1
178	1	18	CYS	CA	C	52.166	0.000	1
179	1	18	CYS	CB	C	38.785	0.004	1
180	1	18	CYS	N	N	114.733	0.000	1
181	1	19	ILE	H	H	8.351	0.000	1
182	1	19	ILE	HA	H	3.561	0.000	1
183	1	19	ILE	HB	H	1.311	0.000	1
184	1	19	ILE	HG12	H	1.257	0.000	1
185	1	19	ILE	HG13	H	1.067	0.000	1
186	1	19	ILE	HG21	H	0.259	0.000	1
187	1	19	ILE	HG22	H	0.259	0.000	1
188	1	19	ILE	HG23	H	0.259	0.000	1
189	1	19	ILE	HD11	H	0.551	0.000	1
190	1	19	ILE	HD12	H	0.551	0.000	1
191	1	19	ILE	HD13	H	0.551	0.000	1
192	1	19	ILE	C	C	176.116	0.000	1
193	1	19	ILE	CA	C	62.980	0.000	1
194	1	19	ILE	CB	C	35.741	0.000	1
195	1	19	ILE	CG1	C	27.450	0.008	1
196	1	19	ILE	CG2	C	16.957	0.000	1
197	1	19	ILE	CD1	C	10.951	0.000	1
198	1	19	ILE	N	N	124.711	0.000	1
199	1	20	HIS	H	H	6.177	0.000	1
200	1	20	HIS	HA	H	4.524	0.000	1
201	1	20	HIS	HB2	H	2.775	0.000	2
202	1	20	HIS	HB3	H	1.879	0.000	2
203	1	20	HIS	HD2	H	6.939	0.000	1
204	1	20	HIS	C	C	173.233	0.000	1
205	1	20	HIS	CA	C	52.470	0.000	1
206	1	20	HIS	CB	C	26.945	0.005	1
207	1	20	HIS	CD2	C	121.160	0.000	1
208	1	20	HIS	N	N	115.124	0.000	1
209	1	21	GLY	H	H	6.818	0.000	1
210	1	21	GLY	HA2	H	3.431	0.000	2
211	1	21	GLY	HA3	H	2.693	0.000	2
212	1	21	GLY	C	C	169.306	0.000	1
213	1	21	GLY	CA	C	45.977	0.002	1
214	1	21	GLY	N	N	107.235	0.000	1
215	1	22	ASP	H	H	7.957	0.000	1
216	1	22	ASP	HA	H	4.889	0.000	1
217	1	22	ASP	HB2	H	2.698	0.000	2
218	1	22	ASP	HB3	H	2.490	0.000	2
219	1	22	ASP	C	C	173.536	0.000	1
220	1	22	ASP	CA	C	53.288	0.000	1
221	1	22	ASP	CB	C	44.568	0.097	1
222	1	22	ASP	N	N	116.828	0.000	1
223	1	23	CYS	H	H	8.711	0.000	1
224	1	23	CYS	HA	H	5.236	0.000	1
225	1	23	CYS	HB2	H	3.073	0.000	2
226	1	23	CYS	HB3	H	3.073	0.000	2
227	1	23	CYS	C	C	174.900	0.000	1
228	1	23	CYS	CA	C	57.015	0.000	1
229	1	23	CYS	CB	C	35.969	0.000	1
230	1	23	CYS	N	N	123.915	0.000	1
231	1	24	PHE	H	H	9.443	0.000	1
232	1	24	PHE	HA	H	4.876	0.000	1
233	1	24	PHE	HB2	H	2.814	0.000	2
234	1	24	PHE	HB3	H	2.505	0.000	2
235	1	24	PHE	HD1	H	6.886	0.000	1
236	1	24	PHE	HD2	H	6.886	0.000	1
237	1	24	PHE	HE1	H	7.093	0.000	1
238	1	24	PHE	HE2	H	7.093	0.000	1
239	1	24	PHE	C	C	173.186	0.000	1
240	1	24	PHE	CA	C	57.732	0.000	1
241	1	24	PHE	CB	C	42.730	0.000	1
242	1	24	PHE	CD2	C	132.127	0.000	1
243	1	24	PHE	CE2	C	130.788	0.000	1
244	1	24	PHE	N	N	129.645	0.000	1
245	1	25	PHE	H	H	9.554	0.000	1
246	1	25	PHE	HA	H	4.684	0.000	1
247	1	25	PHE	HB2	H	2.955	0.000	2
248	1	25	PHE	HB3	H	2.692	0.000	2
249	1	25	PHE	HD1	H	6.844	0.000	1
250	1	25	PHE	HD2	H	6.844	0.000	1
251	1	25	PHE	HZ	H	7.155	0.000	1
252	1	25	PHE	C	C	175.687	0.000	1
253	1	25	PHE	CA	C	57.736	0.000	1
254	1	25	PHE	CB	C	41.364	0.034	1
255	1	25	PHE	CD2	C	131.186	0.000	1
256	1	25	PHE	CE2	C	131.212	0.000	1
257	1	25	PHE	CZ	C	129.423	0.000	1
258	1	25	PHE	N	N	122.451	0.000	1
259	1	26	LEU	H	H	8.168	0.000	1
260	1	26	LEU	HA	H	4.580	0.000	1
261	1	26	LEU	HB2	H	1.779	0.000	2
262	1	26	LEU	HB3	H	1.488	0.000	2
263	1	26	LEU	HG	H	1.636	0.000	1
264	1	26	LEU	HD11	H	0.812	0.000	1
265	1	26	LEU	HD12	H	0.812	0.000	1
266	1	26	LEU	HD13	H	0.812	0.000	1
267	1	26	LEU	HD21	H	0.769	0.000	1
268	1	26	LEU	HD22	H	0.769	0.000	1
269	1	26	LEU	HD23	H	0.769	0.000	1
270	1	26	LEU	C	C	177.118	0.000	1
271	1	26	LEU	CA	C	53.821	0.000	1
272	1	26	LEU	CB	C	40.941	0.002	1
273	1	26	LEU	CG	C	26.811	0.000	1
274	1	26	LEU	CD1	C	25.910	0.000	1
275	1	26	LEU	CD2	C	23.266	0.000	1
276	1	26	LEU	N	N	127.851	0.000	1
277	1	27	LYS	H	H	8.543	0.000	1
278	1	27	LYS	HA	H	3.894	0.000	1
279	1	27	LYS	HB2	H	1.867	0.000	2
280	1	27	LYS	HB3	H	1.867	0.000	2
281	1	27	LYS	HG2	H	1.507	0.000	2
282	1	27	LYS	HG3	H	1.507	0.000	2
283	1	27	LYS	HD2	H	1.744	0.000	2
284	1	27	LYS	HE2	H	3.005	0.000	2
285	1	27	LYS	HE3	H	3.005	0.000	2
286	1	27	LYS	C	C	178.701	0.000	1
287	1	27	LYS	CA	C	59.711	0.000	1
288	1	27	LYS	CB	C	32.492	0.000	1
289	1	27	LYS	CG	C	25.011	0.000	1
290	1	27	LYS	CD	C	29.259	0.000	1
291	1	27	LYS	CE	C	41.972	0.000	1
292	1	27	LYS	N	N	125.673	0.000	1
293	1	28	GLU	H	H	9.097	0.000	1
294	1	28	GLU	HA	H	4.033	0.000	1
295	1	28	GLU	HB2	H	2.016	0.000	2
296	1	28	GLU	HB3	H	2.016	0.000	2
297	1	28	GLU	HG2	H	2.273	0.000	2
298	1	28	GLU	HG3	H	2.273	0.000	2
299	1	28	GLU	C	C	177.248	0.000	1
300	1	28	GLU	CA	C	59.142	0.000	1
301	1	28	GLU	CB	C	28.945	0.000	1
302	1	28	GLU	CG	C	36.460	0.000	1
303	1	28	GLU	N	N	117.517	0.000	1
304	1	29	LEU	H	H	7.109	0.000	1
305	1	29	LEU	HA	H	4.305	0.000	1
306	1	29	LEU	HB2	H	1.526	0.000	1
307	1	29	LEU	HB3	H	1.397	0.000	1
308	1	29	LEU	HG	H	1.522	0.000	1
309	1	29	LEU	HD11	H	0.793	0.000	1
310	1	29	LEU	HD12	H	0.793	0.000	1
311	1	29	LEU	HD13	H	0.793	0.000	1
312	1	29	LEU	HD21	H	0.836	0.000	1
313	1	29	LEU	HD22	H	0.836	0.000	1
314	1	29	LEU	HD23	H	0.836	0.000	1
315	1	29	LEU	C	C	176.289	0.000	1
316	1	29	LEU	CA	C	54.500	0.000	1
317	1	29	LEU	CB	C	43.470	0.010	1
318	1	29	LEU	CG	C	27.205	0.000	1
319	1	29	LEU	CD1	C	22.965	0.000	1
320	1	29	LEU	CD2	C	25.215	0.000	1
321	1	29	LEU	N	N	116.522	0.000	1
322	1	30	ASN	H	H	8.061	0.000	1
323	1	30	ASN	HA	H	4.145	0.000	1
324	1	30	ASN	HB2	H	3.126	0.000	2
325	1	30	ASN	HB3	H	2.539	0.000	2
326	1	30	ASN	C	C	173.824	0.000	1
327	1	30	ASN	CA	C	53.968	0.000	1
328	1	30	ASN	CB	C	37.705	0.016	1
329	1	30	ASN	N	N	117.753	0.000	1
330	1	31	GLN	H	H	6.692	0.000	1
331	1	31	GLN	HA	H	4.808	0.000	1
332	1	31	GLN	HB2	H	1.585	0.000	1
333	1	31	GLN	HB3	H	2.014	0.000	1
334	1	31	GLN	HG2	H	2.254	0.000	2
335	1	31	GLN	HG3	H	2.254	0.000	2
336	1	31	GLN	CA	C	52.218	0.000	1
337	1	31	GLN	CB	C	32.209	0.007	1
338	1	31	GLN	CG	C	32.935	0.000	1
339	1	31	GLN	N	N	114.589	0.000	1
340	1	32	PRO	HA	H	4.824	0.000	1
341	1	32	PRO	HB2	H	1.502	0.000	1
342	1	32	PRO	HB3	H	1.814	0.000	1
343	1	32	PRO	HG2	H	1.332	0.000	2
344	1	32	PRO	HD2	H	3.641	0.000	1
345	1	32	PRO	HD3	H	3.535	0.000	1
346	1	32	PRO	C	C	174.928	0.000	1
347	1	32	PRO	CA	C	61.713	0.000	1
348	1	32	PRO	CB	C	33.173	0.003	1
349	1	32	PRO	CG	C	26.053	0.000	1
350	1	32	PRO	CD	C	50.212	0.000	1
351	1	33	ALA	H	H	9.198	0.000	1
352	1	33	ALA	HA	H	4.725	0.000	1
353	1	33	ALA	HB1	H	1.211	0.000	1
354	1	33	ALA	HB2	H	1.211	0.000	1
355	1	33	ALA	HB3	H	1.211	0.000	1
356	1	33	ALA	C	C	175.254	0.000	1
357	1	33	ALA	CA	C	51.166	0.000	1
358	1	33	ALA	CB	C	22.722	0.000	1
359	1	33	ALA	N	N	123.623	0.000	1
360	1	34	CYS	H	H	8.661	0.000	1
361	1	34	CYS	HA	H	5.502	0.000	1
362	1	34	CYS	HB2	H	2.650	0.000	2
363	1	34	CYS	HB3	H	2.489	0.000	2
364	1	34	CYS	C	C	174.189	0.000	1
365	1	34	CYS	CA	C	53.267	0.000	1
366	1	34	CYS	CB	C	44.027	0.006	1
367	1	34	CYS	N	N	114.814	0.000	1
368	1	35	ARG	H	H	9.424	0.000	1
369	1	35	ARG	HA	H	4.701	0.000	1
370	1	35	ARG	HB2	H	1.531	0.000	1
371	1	35	ARG	HB3	H	2.138	0.000	1
372	1	35	ARG	HG2	H	1.718	0.000	2
373	1	35	ARG	HG3	H	1.718	0.000	2
374	1	35	ARG	HD2	H	2.880	0.000	2
375	1	35	ARG	HE	H	7.372	0.000	1
376	1	35	ARG	C	C	176.617	0.000	1
377	1	35	ARG	CA	C	54.733	0.000	1
378	1	35	ARG	CB	C	30.912	0.046	1
379	1	35	ARG	CG	C	26.693	0.000	1
380	1	35	ARG	CD	C	43.639	0.000	1
381	1	35	ARG	N	N	126.847	0.000	1
382	1	35	ARG	NE	N	83.514	0.000	1
383	1	36	CYS	H	H	9.165	0.000	1
384	1	36	CYS	HA	H	4.864	0.000	1
385	1	36	CYS	HB2	H	3.305	0.000	2
386	1	36	CYS	HB3	H	2.757	0.000	2
387	1	36	CYS	C	C	176.286	0.000	1
388	1	36	CYS	CA	C	54.248	0.000	1
389	1	36	CYS	CB	C	35.121	0.030	1
390	1	36	CYS	N	N	125.796	0.000	1
391	1	37	TYR	H	H	8.174	0.000	1
392	1	37	TYR	HA	H	5.080	0.000	1
393	1	37	TYR	HB2	H	2.734	0.000	1
394	1	37	TYR	HB3	H	3.598	0.000	1
395	1	37	TYR	HD1	H	6.995	0.000	1
396	1	37	TYR	HD2	H	6.995	0.000	1
397	1	37	TYR	HE1	H	6.863	0.000	1
398	1	37	TYR	HE2	H	6.863	0.000	1
399	1	37	TYR	C	C	175.768	0.000	1
400	1	37	TYR	CA	C	54.769	0.000	1
401	1	37	TYR	CB	C	37.255	0.004	1
402	1	37	TYR	CD1	C	131.782	0.000	1
403	1	37	TYR	CE1	C	118.459	0.000	1
404	1	37	TYR	N	N	122.866	0.000	1
405	1	38	THR	H	H	8.514	0.000	1
406	1	38	THR	HA	H	4.021	0.000	1
407	1	38	THR	HB	H	4.020	0.000	1
408	1	38	THR	HG21	H	1.269	0.000	1
409	1	38	THR	HG22	H	1.269	0.000	1
410	1	38	THR	HG23	H	1.269	0.000	1
411	1	38	THR	C	C	175.136	0.000	1
412	1	38	THR	CA	C	65.253	0.000	1
413	1	38	THR	CB	C	69.234	0.000	1
414	1	38	THR	CG2	C	21.712	0.000	1
415	1	38	THR	N	N	116.945	0.000	1
416	1	39	GLY	H	H	8.939	0.000	1
417	1	39	GLY	HA2	H	4.100	0.000	1
418	1	39	GLY	HA3	H	3.580	0.000	1
419	1	39	GLY	C	C	173.366	0.000	1
420	1	39	GLY	CA	C	44.854	0.047	1
421	1	39	GLY	N	N	114.666	0.000	1
422	1	40	TYR	H	H	7.958	0.000	1
423	1	40	TYR	HA	H	5.577	0.000	1
424	1	40	TYR	HB2	H	2.857	0.000	1
425	1	40	TYR	HB3	H	2.916	0.000	1
426	1	40	TYR	HD1	H	6.710	0.000	1
427	1	40	TYR	HD2	H	6.710	0.000	1
428	1	40	TYR	HE1	H	6.297	0.000	1
429	1	40	TYR	HE2	H	6.297	0.000	1
430	1	40	TYR	C	C	174.742	0.000	1
431	1	40	TYR	CA	C	56.970	0.000	1
432	1	40	TYR	CB	C	41.467	0.002	1
433	1	40	TYR	CD1	C	134.306	0.000	1
434	1	40	TYR	CE1	C	116.778	0.000	1
435	1	40	TYR	N	N	118.402	0.000	1
436	1	41	TYR	H	H	9.112	0.000	1
437	1	41	TYR	HA	H	5.179	0.000	1
438	1	41	TYR	HB2	H	3.052	0.000	1
439	1	41	TYR	HB3	H	3.084	0.000	1
440	1	41	TYR	HD1	H	6.940	0.000	1
441	1	41	TYR	HD2	H	6.940	0.000	1
442	1	41	TYR	HE1	H	6.612	0.000	1
443	1	41	TYR	HE2	H	6.612	0.000	1
444	1	41	TYR	C	C	173.191	0.000	1
445	1	41	TYR	CA	C	57.046	0.000	1
446	1	41	TYR	CB	C	40.262	0.000	1
447	1	41	TYR	CD1	C	133.938	0.000	1
448	1	41	TYR	CE1	C	118.043	0.000	1
449	1	41	TYR	N	N	117.054	0.000	1
450	1	42	GLY	H	H	8.554	0.000	1
451	1	42	GLY	HA2	H	4.995	0.000	2
452	1	42	GLY	HA3	H	4.072	0.000	2
453	1	42	GLY	C	C	177.271	0.000	1
454	1	42	GLY	CA	C	43.409	0.039	1
455	1	42	GLY	N	N	108.299	0.000	1
456	1	43	SER	H	H	9.566	0.000	1
457	1	43	SER	HA	H	4.248	0.000	1
458	1	43	SER	HB2	H	4.042	0.000	2
459	1	43	SER	HB3	H	3.998	0.000	2
460	1	43	SER	C	C	175.335	0.000	1
461	1	43	SER	CA	C	62.480	0.000	1
462	1	43	SER	CB	C	62.985	0.001	1
463	1	43	SER	N	N	121.215	0.000	1
464	1	44	ARG	H	H	8.613	0.000	1
465	1	44	ARG	HA	H	4.609	0.000	1
466	1	44	ARG	HB2	H	2.179	0.000	2
467	1	44	ARG	HB3	H	2.179	0.000	2
468	1	44	ARG	HG2	H	1.261	0.000	2
469	1	44	ARG	HG3	H	0.506	0.000	2
470	1	44	ARG	HD3	H	2.806	0.000	2
471	1	44	ARG	HE	H	7.486	0.000	1
472	1	44	ARG	C	C	175.732	0.000	1
473	1	44	ARG	CA	C	54.871	0.000	1
474	1	44	ARG	CB	C	29.721	0.000	1
475	1	44	ARG	CG	C	26.218	0.002	1
476	1	44	ARG	CD	C	43.406	0.000	1
477	1	44	ARG	N	N	118.225	0.000	1
478	1	44	ARG	NE	N	85.758	0.000	1
479	1	45	CYS	H	H	7.945	0.000	1
480	1	45	CYS	HA	H	3.659	0.000	1
481	1	45	CYS	HB2	H	2.779	0.000	1
482	1	45	CYS	HB3	H	2.179	0.000	1
483	1	45	CYS	C	C	174.218	0.000	1
484	1	45	CYS	CA	C	55.028	0.000	1
485	1	45	CYS	CB	C	37.686	0.008	1
486	1	45	CYS	N	N	115.725	0.000	1
487	1	46	GLU	H	H	10.391	0.000	1
488	1	46	GLU	HA	H	4.105	0.000	1
489	1	46	GLU	HB2	H	1.785	0.000	1
490	1	46	GLU	HB3	H	1.456	0.000	1
491	1	46	GLU	HG2	H	1.922	0.000	2
492	1	46	GLU	HG3	H	1.020	0.000	2
493	1	46	GLU	C	C	176.298	0.000	1
494	1	46	GLU	CA	C	57.000	0.000	1
495	1	46	GLU	CB	C	29.746	0.001	1
496	1	46	GLU	CG	C	34.267	0.001	1
497	1	46	GLU	N	N	118.247	0.000	1
498	1	47	HIS	H	H	8.694	0.000	1
499	1	47	HIS	HA	H	4.971	0.000	1
500	1	47	HIS	HB2	H	1.543	0.000	1
501	1	47	HIS	HB3	H	2.430	0.000	1
502	1	47	HIS	HD2	H	6.726	0.000	1
503	1	47	HIS	C	C	176.463	0.000	1
504	1	47	HIS	CA	C	54.179	0.000	1
505	1	47	HIS	CB	C	30.436	0.046	1
506	1	47	HIS	CD2	C	120.412	0.000	1
507	1	47	HIS	N	N	121.624	0.000	1
508	1	48	ILE	H	H	8.380	0.000	1
509	1	48	ILE	HA	H	4.225	0.000	1
510	1	48	ILE	HB	H	1.549	0.000	1
511	1	48	ILE	HG12	H	0.894	0.000	1
512	1	48	ILE	HG13	H	1.361	0.000	1
513	1	48	ILE	HG21	H	0.687	0.000	1
514	1	48	ILE	HG22	H	0.687	0.000	1
515	1	48	ILE	HG23	H	0.687	0.000	1
516	1	48	ILE	HD11	H	0.717	0.000	1
517	1	48	ILE	HD12	H	0.717	0.000	1
518	1	48	ILE	HD13	H	0.717	0.000	1
519	1	48	ILE	C	C	175.478	0.000	1
520	1	48	ILE	CA	C	60.763	0.000	1
521	1	48	ILE	CB	C	39.733	0.000	1
522	1	48	ILE	CG1	C	28.437	0.005	1
523	1	48	ILE	CG2	C	16.676	0.000	1
524	1	48	ILE	CD1	C	13.685	0.000	1
525	1	48	ILE	N	N	120.615	0.000	1
526	1	49	ASP	H	H	8.411	0.000	1
527	1	49	ASP	HA	H	4.606	0.000	1
528	1	49	ASP	HB2	H	2.516	0.000	2
529	1	49	ASP	HB3	H	2.367	0.000	2
530	1	49	ASP	C	C	175.604	0.000	1
531	1	49	ASP	CA	C	54.456	0.000	1
532	1	49	ASP	CB	C	41.073	0.074	1
533	1	49	ASP	N	N	126.807	0.000	1
534	1	50	HIS	H	H	8.197	0.000	1
535	1	50	HIS	HA	H	4.646	0.000	1
536	1	50	HIS	HB2	H	3.218	0.000	2
537	1	50	HIS	HB3	H	3.152	0.000	2
538	1	50	HIS	HD2	H	7.263	0.000	1
539	1	50	HIS	HE1	H	8.283	0.000	1
540	1	50	HIS	C	C	173.214	0.000	1
541	1	50	HIS	CA	C	54.976	0.000	1
542	1	50	HIS	CB	C	29.487	0.000	1
543	1	50	HIS	CD2	C	120.319	0.000	1
544	1	50	HIS	CE1	C	137.843	0.000	1
545	1	50	HIS	N	N	119.113	0.000	1
546	1	51	ASN	H	H	8.282	0.000	1
547	1	51	ASN	HA	H	4.358	0.000	1
548	1	51	ASN	HB2	H	2.737	0.000	2
549	1	51	ASN	HB3	H	2.518	0.000	2
550	1	51	ASN	CA	C	56.207	0.000	1
551	1	51	ASN	CB	C	40.089	0.067	1
552	1	51	ASN	N	N	125.574	0.000	1

Release date

2021-07-14

Citation

A peptide toxin in ant venom mimics vertebrate EGF-like hormones to cause long-lasting hypersensitivity in mammals
Eagles, D.A., Saez, N.J., Krishnarjuna, B., Bradford, J.J., Chin, Y.K., Starobova, H., Mueller, A., Reichelt, M.E., Undheim, E., Norton, R.S., Thomas, W.G., Vetter, I., King, G.F., Robinson, S.D.
Proc. Natl. Acad. Sci. U. S. A. (2022), 119, e2112630119-e2112630119, PubMed 35131940 , DOI 10.1073/pnas.2112630119 , Abstract

Related entities 1. U-myrmeciitoxin(02)-Mg1a, : 1 : 1 : 85 entities Detail

Experiments performed 10 experiments Detail

Chemical shift validation 3 contents Detail