BMRB: 30879

Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains

Authors

del Rio, J.F., Lopez, A.E., Titaux, G.

Assembly

Scorpine

Entity

1. Scorpine (polymer, Thiol state: not present), 28 monomers, 3130.638 Da Detail

GWINEEKIQK KIDERMGNTV LGGMAKAI

Formula weight

3130.638 Da

Source organism

Pandinus imperator

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 202 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	GLY	HA2	H	3.978	0.020
2	1	1	GLY	HA3	H	3.896	0.020
3	1	2	TRP	H	H	8.487	0.020
4	1	2	TRP	HA	H	4.762	0.020
5	1	2	TRP	HB2	H	3.379	0.020
6	1	2	TRP	HB3	H	3.379	0.020
7	1	2	TRP	HD1	H	7.331	0.020
8	1	3	ILE	H	H	7.779	0.020
9	1	3	ILE	HA	H	3.918	0.020
10	1	3	ILE	HB	H	1.702	0.020
11	1	3	ILE	HG12	H	1.005	0.020
12	1	3	ILE	HG13	H	1.302	0.020
13	1	3	ILE	HG21	H	0.857	0.020
14	1	3	ILE	HG22	H	0.857	0.020
15	1	3	ILE	HG23	H	0.857	0.020
16	1	3	ILE	HD11	H	0.834	0.020
17	1	3	ILE	HD12	H	0.834	0.020
18	1	3	ILE	HD13	H	0.834	0.020
19	1	4	ASN	H	H	7.764	0.020
20	1	4	ASN	HA	H	4.571	0.020
21	1	4	ASN	HB2	H	2.909	0.020
22	1	4	ASN	HB3	H	2.795	0.020
23	1	4	ASN	HD21	H	7.534	0.020
24	1	4	ASN	HD22	H	6.872	0.020
25	1	5	GLU	H	H	8.132	0.020
26	1	5	GLU	HA	H	4.088	0.020
27	1	5	GLU	HB2	H	2.190	0.020
28	1	5	GLU	HB3	H	2.190	0.020
29	1	5	GLU	HG2	H	2.526	0.020
30	1	5	GLU	HG3	H	2.526	0.020
31	1	6	GLU	H	H	8.293	0.020
32	1	6	GLU	HA	H	4.109	0.020
33	1	6	GLU	HB2	H	2.168	0.020
34	1	6	GLU	HB3	H	2.168	0.020
35	1	6	GLU	HG2	H	2.518	0.020
36	1	6	GLU	HG3	H	2.472	0.020
37	1	7	LYS	H	H	7.917	0.020
38	1	7	LYS	HA	H	4.040	0.020
39	1	7	LYS	HB2	H	1.981	0.020
40	1	7	LYS	HB3	H	1.981	0.020
41	1	7	LYS	HG2	H	1.473	0.020
42	1	7	LYS	HG3	H	1.473	0.020
43	1	7	LYS	HD2	H	1.708	0.020
44	1	7	LYS	HD3	H	1.708	0.020
45	1	7	LYS	HE2	H	2.993	0.020
46	1	7	LYS	HE3	H	2.993	0.020
47	1	8	ILE	H	H	7.678	0.020
48	1	8	ILE	HA	H	3.825	0.020
49	1	8	ILE	HB	H	2.001	0.020
50	1	8	ILE	HG12	H	1.242	0.020
51	1	8	ILE	HG13	H	1.242	0.020
52	1	8	ILE	HG21	H	0.990	0.020
53	1	8	ILE	HG22	H	0.990	0.020
54	1	8	ILE	HG23	H	0.990	0.020
55	1	8	ILE	HD11	H	0.890	0.020
56	1	8	ILE	HD12	H	0.890	0.020
57	1	8	ILE	HD13	H	0.890	0.020
58	1	9	GLN	H	H	8.247	0.020
59	1	9	GLN	HA	H	3.958	0.020
60	1	9	GLN	HB2	H	2.228	0.020
61	1	9	GLN	HB3	H	2.228	0.020
62	1	9	GLN	HG2	H	2.521	0.020
63	1	9	GLN	HG3	H	2.429	0.020
64	1	9	GLN	HE21	H	7.187	0.020
65	1	9	GLN	HE22	H	6.602	0.020
66	1	10	LYS	H	H	8.071	0.020
67	1	10	LYS	HA	H	4.148	0.020
68	1	10	LYS	HB2	H	2.011	0.020
69	1	10	LYS	HB3	H	1.785	0.020
70	1	10	LYS	HG2	H	1.578	0.020
71	1	10	LYS	HG3	H	1.578	0.020
72	1	10	LYS	HD2	H	1.651	0.020
73	1	10	LYS	HD3	H	1.651	0.020
74	1	10	LYS	HE2	H	3.047	0.020
75	1	10	LYS	HE3	H	3.047	0.020
76	1	11	LYS	H	H	7.790	0.020
77	1	11	LYS	HA	H	4.179	0.020
78	1	11	LYS	HB2	H	2.122	0.020
79	1	11	LYS	HB3	H	2.040	0.020
80	1	11	LYS	HG2	H	1.615	0.020
81	1	11	LYS	HG3	H	1.615	0.020
82	1	11	LYS	HD2	H	1.766	0.020
83	1	11	LYS	HD3	H	1.766	0.020
84	1	11	LYS	HE2	H	3.024	0.020
85	1	11	LYS	HE3	H	3.024	0.020
86	1	12	ILE	H	H	8.420	0.020
87	1	12	ILE	HA	H	3.760	0.020
88	1	12	ILE	HB	H	2.024	0.020
89	1	12	ILE	HG12	H	1.175	0.020
90	1	12	ILE	HG13	H	1.157	0.020
91	1	12	ILE	HG21	H	0.999	0.020
92	1	12	ILE	HG22	H	0.999	0.020
93	1	12	ILE	HG23	H	0.999	0.020
94	1	12	ILE	HD11	H	0.876	0.020
95	1	12	ILE	HD12	H	0.876	0.020
96	1	12	ILE	HD13	H	0.876	0.020
97	1	13	ASP	H	H	8.654	0.020
98	1	13	ASP	HA	H	4.499	0.020
99	1	13	ASP	HB2	H	2.929	0.020
100	1	13	ASP	HB3	H	3.144	0.020
101	1	14	GLU	H	H	8.321	0.020
102	1	14	GLU	HA	H	4.169	0.020
103	1	14	GLU	HB2	H	2.340	0.020
104	1	14	GLU	HB3	H	2.243	0.020
105	1	14	GLU	HG2	H	2.748	0.020
106	1	14	GLU	HG3	H	2.503	0.020
107	1	15	ARG	H	H	8.121	0.020
108	1	15	ARG	HA	H	4.258	0.020
109	1	15	ARG	HB2	H	3.229	0.020
110	1	15	ARG	HB3	H	2.093	0.020
111	1	15	ARG	HG2	H	1.812	0.020
112	1	15	ARG	HG3	H	1.812	0.020
113	1	15	ARG	HD2	H	3.277	0.020
114	1	15	ARG	HD3	H	3.277	0.020
115	1	15	ARG	HE	H	7.274	0.020
116	1	16	MET	H	H	8.637	0.020
117	1	16	MET	HA	H	4.433	0.020
118	1	16	MET	HB2	H	2.242	0.020
119	1	16	MET	HB3	H	2.242	0.020
120	1	16	MET	HG2	H	2.753	0.020
121	1	16	MET	HG3	H	2.642	0.020
122	1	16	MET	HE1	H	2.319	0.020
123	1	16	MET	HE2	H	2.319	0.020
124	1	16	MET	HE3	H	2.319	0.020
125	1	17	GLY	H	H	8.415	0.020
126	1	17	GLY	HA2	H	3.965	0.020
127	1	17	GLY	HA3	H	3.965	0.020
128	1	18	ASN	H	H	8.157	0.020
129	1	18	ASN	HA	H	4.717	0.020
130	1	18	ASN	HB2	H	2.915	0.020
131	1	18	ASN	HB3	H	2.915	0.020
132	1	18	ASN	HD21	H	7.476	0.020
133	1	18	ASN	HD22	H	6.734	0.020
134	1	19	THR	H	H	8.017	0.020
135	1	19	THR	HA	H	4.456	0.020
136	1	19	THR	HB	H	4.265	0.020
137	1	19	THR	HG21	H	1.327	0.020
138	1	19	THR	HG22	H	1.327	0.020
139	1	19	THR	HG23	H	1.327	0.020
140	1	20	VAL	H	H	8.104	0.020
141	1	20	VAL	HA	H	3.979	0.020
142	1	20	VAL	HB	H	2.225	0.020
143	1	20	VAL	HG11	H	1.078	0.020
144	1	20	VAL	HG12	H	1.078	0.020
145	1	20	VAL	HG13	H	1.078	0.020
146	1	20	VAL	HG21	H	1.012	0.020
147	1	20	VAL	HG22	H	1.012	0.020
148	1	20	VAL	HG23	H	1.012	0.020
149	1	21	LEU	H	H	8.105	0.020
150	1	21	LEU	HA	H	4.307	0.020
151	1	21	LEU	HB2	H	1.818	0.020
152	1	21	LEU	HB3	H	1.818	0.020
153	1	21	LEU	HG	H	1.657	0.020
154	1	21	LEU	HD11	H	0.952	0.020
155	1	21	LEU	HD12	H	0.952	0.020
156	1	21	LEU	HD13	H	0.952	0.020
157	1	21	LEU	HD21	H	0.952	0.020
158	1	21	LEU	HD22	H	0.952	0.020
159	1	21	LEU	HD23	H	0.952	0.020
160	1	22	GLY	H	H	8.051	0.020
161	1	22	GLY	HA2	H	3.981	0.020
162	1	22	GLY	HA3	H	3.981	0.020
163	1	23	GLY	H	H	8.068	0.020
164	1	23	GLY	HA2	H	4.057	0.020
165	1	23	GLY	HA3	H	4.057	0.020
166	1	24	MET	H	H	8.074	0.020
167	1	24	MET	HA	H	4.445	0.020
168	1	24	MET	HB2	H	2.204	0.020
169	1	24	MET	HB3	H	2.204	0.020
170	1	24	MET	HG2	H	2.723	0.020
171	1	24	MET	HG3	H	2.626	0.020
172	1	25	ALA	H	H	8.028	0.020
173	1	25	ALA	HA	H	4.281	0.020
174	1	25	ALA	HB1	H	1.494	0.020
175	1	25	ALA	HB2	H	1.494	0.020
176	1	25	ALA	HB3	H	1.494	0.020
177	1	26	LYS	H	H	7.753	0.020
178	1	26	LYS	HA	H	4.366	0.020
179	1	26	LYS	HB2	H	1.958	0.020
180	1	26	LYS	HB3	H	1.875	0.020
181	1	26	LYS	HG2	H	1.551	0.020
182	1	26	LYS	HG3	H	1.551	0.020
183	1	26	LYS	HD2	H	1.767	0.020
184	1	26	LYS	HD3	H	1.767	0.020
185	1	26	LYS	HE2	H	3.069	0.020
186	1	26	LYS	HE3	H	3.069	0.020
187	1	27	ALA	H	H	7.916	0.020
188	1	27	ALA	HA	H	4.418	0.020
189	1	27	ALA	HB1	H	1.488	0.020
190	1	27	ALA	HB2	H	1.488	0.020
191	1	27	ALA	HB3	H	1.488	0.020
192	1	28	ILE	H	H	7.624	0.020
193	1	28	ILE	HA	H	4.327	0.020
194	1	28	ILE	HB	H	1.977	0.020
195	1	28	ILE	HG12	H	1.548	0.020
196	1	28	ILE	HG13	H	1.275	0.020
197	1	28	ILE	HG21	H	0.995	0.020
198	1	28	ILE	HG22	H	0.995	0.020
199	1	28	ILE	HG23	H	0.995	0.020
200	1	28	ILE	HD11	H	0.950	0.020
201	1	28	ILE	HD12	H	0.950	0.020
202	1	28	ILE	HD13	H	0.950	0.020

Release date

2021-04-06

Citation

Structural and functional studies of scorpine: A channel blocker and cytolytic peptide
Lopez-Giraldo, E., Carrillo, E., Titaux-Delgado, G., Cano-Sanchez, P., Colorado, A., Possani, L.D., Rio-Portilla, F.D.
Toxicon. (2023), 222, 106985-106985, PubMed 36436588 , DOI 10.1016/j.toxicon.2022.106985 , Abstract

Related entities 1. Scorpine, : 1 : 1 : 12 entities Detail

Experiments performed 3 experiments Detail