BMRB: 30891

NMR Structure of Schistocin-1 antimicrobial peptide in presence of DPC-d38 micelles

Authors

Santos, B.P.O., De Magalhaes, M.T.Q.

Assembly

Schistocin-1 antimicrobial peptide

Entity

1. Schistocin-1 antimicrobial peptide (polymer, Thiol state: not present), 21 monomers, 2270.735 Da Detail

GILDIKNKVS NLFKKIKGEK X

Formula weight

2270.735 Da

Source organism

Schistosoma mansoni

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 162, ¹³C: 67 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	ILE	H	H	9.3228
2	1	2	ILE	HA	H	3.9351
3	1	2	ILE	HB	H	1.9189
4	1	2	ILE	HG12	H	1.5706
5	1	2	ILE	HG13	H	1.7012
6	1	2	ILE	HG21	H	1.2941
7	1	2	ILE	HG22	H	1.2941
8	1	2	ILE	HG23	H	1.2941
9	1	2	ILE	HD11	H	0.9611
10	1	2	ILE	HD12	H	0.9611
11	1	2	ILE	HD13	H	0.9611
12	1	2	ILE	CA	C	63.7710
13	1	2	ILE	CB	C	38.1862
14	1	2	ILE	CD1	C	17.8970
15	1	3	LEU	H	H	8.6646
16	1	3	LEU	HA	H	4.0780
17	1	3	LEU	HB2	H	1.7081
18	1	3	LEU	HB3	H	1.7081
19	1	3	LEU	HG	H	1.5709
20	1	3	LEU	HD11	H	0.9591
21	1	3	LEU	HD12	H	0.9591
22	1	3	LEU	HD13	H	0.9591
23	1	3	LEU	HD21	H	0.9591
24	1	3	LEU	HD22	H	0.9591
25	1	3	LEU	HD23	H	0.9591
26	1	3	LEU	CA	C	57.6319
27	1	3	LEU	CB	C	40.9160
28	1	3	LEU	CG	C	28.9916
29	1	4	ASP	H	H	7.7570
30	1	4	ASP	HA	H	4.4921
31	1	4	ASP	HB2	H	2.7885
32	1	4	ASP	HB3	H	2.7885
33	1	4	ASP	CA	C	56.2499
34	1	4	ASP	CB	C	41.7921
35	1	5	ILE	H	H	7.7885
36	1	5	ILE	HA	H	3.7421
37	1	5	ILE	HB	H	2.0407
38	1	5	ILE	HG12	H	0.8900
39	1	5	ILE	HG13	H	1.6901
40	1	5	ILE	HG21	H	1.2216
41	1	5	ILE	HG22	H	1.2216
42	1	5	ILE	HG23	H	1.2216
43	1	5	ILE	HD11	H	0.8950
44	1	5	ILE	HD12	H	0.8950
45	1	5	ILE	HD13	H	0.8950
46	1	5	ILE	CA	C	64.5078
47	1	5	ILE	CB	C	37.8072
48	1	5	ILE	CG1	C	29.2940
49	1	5	ILE	CD1	C	13.7017
50	1	6	LYS	H	H	8.4053
51	1	6	LYS	HA	H	3.7609
52	1	6	LYS	HB2	H	2.0115
53	1	6	LYS	HB3	H	1.8700
54	1	6	LYS	HG2	H	1.5265
55	1	6	LYS	HG3	H	1.5265
56	1	6	LYS	HD2	H	1.6914
57	1	6	LYS	HD3	H	1.6914
58	1	6	LYS	HE2	H	2.8604
59	1	6	LYS	HE3	H	2.8604
60	1	6	LYS	CA	C	60.6807
61	1	6	LYS	CB	C	32.8480
62	1	6	LYS	CG	C	25.4928
63	1	6	LYS	CD	C	29.6380
64	1	6	LYS	CE	C	41.8066
65	1	7	ASN	H	H	8.1973
66	1	7	ASN	HA	H	4.4826
67	1	7	ASN	HB2	H	2.9238
68	1	7	ASN	HB3	H	2.8299
69	1	7	ASN	HD21	H	7.7772
70	1	7	ASN	HD22	H	6.8933
71	1	7	ASN	CA	C	55.9920
72	1	7	ASN	CB	C	38.0430
73	1	8	LYS	H	H	7.9801
74	1	8	LYS	HA	H	4.1674
75	1	8	LYS	HB2	H	1.8779
76	1	8	LYS	HB3	H	2.0237
77	1	8	LYS	HG2	H	1.5388
78	1	8	LYS	HG3	H	1.5388
79	1	8	LYS	HD2	H	1.6775
80	1	8	LYS	HD3	H	1.6775
81	1	8	LYS	HE2	H	2.9564
82	1	8	LYS	HE3	H	2.9564
83	1	8	LYS	CA	C	59.4663
84	1	8	LYS	CB	C	32.6569
85	1	8	LYS	CG	C	25.2708
86	1	8	LYS	CD	C	29.4423
87	1	8	LYS	CE	C	42.0976
88	1	9	VAL	H	H	8.3672
89	1	9	VAL	HA	H	3.6405
90	1	9	VAL	HB	H	2.1655
91	1	9	VAL	HG11	H	0.8912
92	1	9	VAL	HG12	H	0.8912
93	1	9	VAL	HG13	H	0.8912
94	1	9	VAL	HG21	H	1.0293
95	1	9	VAL	HG22	H	1.0293
96	1	9	VAL	HG23	H	1.0293
97	1	9	VAL	CA	C	66.6491
98	1	9	VAL	CB	C	31.3977
99	1	9	VAL	CG1	C	22.3033
100	1	9	VAL	CG2	C	23.2126
101	1	10	SER	H	H	8.3690
102	1	10	SER	HA	H	4.1418
103	1	10	SER	HB2	H	4.0217
104	1	10	SER	HB3	H	4.0198
105	1	10	SER	CA	C	62.2434
106	1	10	SER	CB	C	62.8462
107	1	11	ASN	H	H	8.1483
108	1	11	ASN	HA	H	4.5018
109	1	11	ASN	HB2	H	2.9769
110	1	11	ASN	HB3	H	2.8105
111	1	11	ASN	HD21	H	7.7036
112	1	11	ASN	HD22	H	6.9228
113	1	11	ASN	CA	C	56.2186
114	1	11	ASN	CB	C	38.2465
115	1	12	LEU	H	H	8.0468
116	1	12	LEU	HA	H	3.8469
117	1	12	LEU	HB2	H	1.7211
118	1	12	LEU	HB3	H	1.7211
119	1	12	LEU	HG	H	1.5320
120	1	12	LEU	HD11	H	0.8784
121	1	12	LEU	HD12	H	0.8784
122	1	12	LEU	HD13	H	0.8784
123	1	12	LEU	HD21	H	0.8784
124	1	12	LEU	HD22	H	0.8784
125	1	12	LEU	HD23	H	0.8784
126	1	12	LEU	CA	C	59.9097
127	1	12	LEU	CB	C	41.0994
128	1	12	LEU	CG	C	29.4598
129	1	13	PHE	H	H	8.4771
130	1	13	PHE	HA	H	4.1807
131	1	13	PHE	HB2	H	3.2979
132	1	13	PHE	HB3	H	3.1870
133	1	13	PHE	HD1	H	8.6518
134	1	13	PHE	HD2	H	8.6518
135	1	13	PHE	HE1	H	8.1724
136	1	13	PHE	HE2	H	8.1724
137	1	13	PHE	HZ	H	8.9479
138	1	13	PHE	CA	C	60.9202
139	1	13	PHE	CB	C	38.8903
140	1	13	PHE	CD1	C	148.7280
141	1	13	PHE	CE2	C	131.2148
142	1	13	PHE	CZ	C	147.2589
143	1	14	LYS	H	H	8.0483
144	1	14	LYS	HA	H	4.1638
145	1	14	LYS	HB2	H	1.8712
146	1	14	LYS	HB3	H	1.9746
147	1	14	LYS	HG2	H	1.5564
148	1	14	LYS	HG3	H	1.5564
149	1	14	LYS	HD2	H	1.7158
150	1	14	LYS	HD3	H	1.7158
151	1	14	LYS	HE2	H	2.9468
152	1	14	LYS	HE3	H	2.9468
153	1	14	LYS	CA	C	58.1515
154	1	14	LYS	CB	C	32.9558
155	1	14	LYS	CG	C	24.9444
156	1	14	LYS	CD	C	30.0783
157	1	14	LYS	CE	C	42.3222
158	1	15	LYS	H	H	7.8221
159	1	15	LYS	HA	H	4.0970
160	1	15	LYS	HB2	H	2.0054
161	1	15	LYS	HB3	H	1.8856
162	1	15	LYS	HG2	H	1.5582
163	1	15	LYS	HG3	H	1.5582
164	1	15	LYS	HD2	H	1.6874
165	1	15	LYS	HD3	H	1.6874
166	1	15	LYS	HE2	H	2.9399
167	1	15	LYS	HE3	H	2.9399
168	1	15	LYS	CA	C	58.8243
169	1	15	LYS	CB	C	32.2600
170	1	15	LYS	CG	C	25.3472
171	1	15	LYS	CD	C	29.1305
172	1	15	LYS	CE	C	42.0149
173	1	16	ILE	H	H	8.0581
174	1	16	ILE	HA	H	3.7634
175	1	16	ILE	HB	H	1.8858
176	1	16	ILE	HG21	H	1.1875
177	1	16	ILE	HG22	H	1.1875
178	1	16	ILE	HG23	H	1.1875
179	1	16	ILE	HD11	H	0.8803
180	1	16	ILE	HD12	H	0.8803
181	1	16	ILE	HD13	H	0.8803
182	1	16	ILE	CA	C	64.0169
183	1	16	ILE	CB	C	38.0430
184	1	16	ILE	CD1	C	17.7327
185	1	17	LYS	H	H	8.0470
186	1	17	LYS	HA	H	3.9377
187	1	17	LYS	HB2	H	1.9013
188	1	17	LYS	HB3	H	2.0227
189	1	17	LYS	HG2	H	1.5352
190	1	17	LYS	HG3	H	1.5352
191	1	17	LYS	HD2	H	1.7046
192	1	17	LYS	HD3	H	1.7046
193	1	17	LYS	HE2	H	2.8488
194	1	17	LYS	HE3	H	2.8488
195	1	17	LYS	CA	C	58.1039
196	1	17	LYS	CB	C	32.4119
197	1	17	LYS	CG	C	25.6953
198	1	17	LYS	CD	C	29.7991
199	1	17	LYS	CE	C	41.5388
200	1	18	GLY	H	H	7.8157
201	1	18	GLY	HA2	H	3.9145
202	1	18	GLY	HA3	H	3.9145
203	1	18	GLY	CA	C	45.7864
204	1	19	GLU	H	H	7.9457
205	1	19	GLU	HA	H	4.2840
206	1	19	GLU	HB2	H	2.0989
207	1	19	GLU	HB3	H	2.0291
208	1	19	GLU	HG2	H	2.4357
209	1	19	GLU	HG3	H	2.4357
210	1	19	GLU	CA	C	56.4798
211	1	19	GLU	CB	C	29.2321
212	1	19	GLU	CG	C	33.8303
213	1	20	LYS	H	H	8.1485
214	1	20	LYS	HA	H	4.2294
215	1	20	LYS	HB2	H	1.8549
216	1	20	LYS	HB3	H	1.7613
217	1	20	LYS	HG2	H	1.4576
218	1	20	LYS	HG3	H	1.4576
219	1	20	LYS	HD2	H	1.6687
220	1	20	LYS	HD3	H	1.6687
221	1	20	LYS	HE2	H	2.9544
222	1	20	LYS	HE3	H	2.9544
223	1	20	LYS	CA	C	56.2158
224	1	20	LYS	CB	C	33.0703
225	1	20	LYS	CG	C	25.7766
226	1	20	LYS	CD	C	28.5791
227	1	20	LYS	CE	C	42.4781
228	1	21	NH2	HN1	H	7.1151
229	1	21	NH2	HN2	H	7.4550

Release date

2021-04-14

Citation

Schistocins: Novel antimicrobial peptides encrypted in the Schistosoma mansoni Kunitz Inhibitor SmKI-1
Santos, B., Alves, E., Ferreira, C.S., Ferreira-Silva, A., Goes-Neto, A., Verly, R.M., Liao, L.M., Oliveira, S.C., de Magalhaes, M.
Biochim. Biophys. Acta. Gen. Subj. (2021), 1865, 129989-129989, PubMed 34389467 , DOI 10.1016/j.bbagen.2021.129989 , Abstract

Experiments performed 3 experiments Detail