BMRB: 30892

NMR Structure of Schistocin-2 antimicrobial peptide in presence of DPC-d38 micelles

Authors

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

Assembly

Schistocin-2 antimicrobial peptide

Entity

1. Schistocin-2 antimicrobial peptide (polymer, Thiol state: not present), 18 monomers, 1956.398 Da Detail

GILDIKNKVS NLFKKIKX

Formula weight

1956.398 Da

Source organism

Schistosoma mansoni

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 122, ¹³C: 48 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	9.3499
2	1	2	ILE	HA	H	3.9290
3	1	2	ILE	HB	H	1.9216
4	1	2	ILE	HG12	H	1.3146
5	1	2	ILE	HG13	H	1.5796
6	1	2	ILE	HG21	H	0.9699
7	1	2	ILE	HG22	H	0.9699
8	1	2	ILE	HG23	H	0.9699
9	1	2	ILE	CA	C	63.7203
10	1	2	ILE	CB	C	38.1678
11	1	2	ILE	CG2	C	17.9174
12	1	3	LEU	H	H	8.6805
13	1	3	LEU	HA	H	4.0803
14	1	3	LEU	HB2	H	1.7134
15	1	3	LEU	HB3	H	1.7134
16	1	3	LEU	HG	H	1.5771
17	1	3	LEU	CA	C	57.8123
18	1	3	LEU	CB	C	41.1922
19	1	3	LEU	CG	C	28.9717
20	1	4	ASP	H	H	7.7376
21	1	4	ASP	HA	H	4.4951
22	1	4	ASP	HB2	H	2.9400
23	1	4	ASP	HB3	H	2.7806
24	1	4	ASP	CA	C	56.2591
25	1	4	ASP	CB	C	42.0538
26	1	5	ILE	H	H	7.7845
27	1	5	ILE	HA	H	3.7478
28	1	5	ILE	HB	H	2.0375
29	1	5	ILE	HG21	H	0.8952
30	1	5	ILE	HG22	H	0.8952
31	1	5	ILE	HG23	H	0.8952
32	1	5	ILE	CA	C	64.3644
33	1	5	ILE	CB	C	37.8263
34	1	5	ILE	CG2	C	17.6864
35	1	6	LYS	H	H	8.4032
36	1	6	LYS	HA	H	3.7676
37	1	6	LYS	HB2	H	2.0140
38	1	6	LYS	HB3	H	2.0140
39	1	6	LYS	HG2	H	1.5196
40	1	6	LYS	HG3	H	1.5196
41	1	6	LYS	HD2	H	1.7414
42	1	6	LYS	HD3	H	1.8635
43	1	6	LYS	HE2	H	2.8630
44	1	6	LYS	HE3	H	2.8630
45	1	6	LYS	CA	C	60.9108
46	1	6	LYS	CB	C	32.5827
47	1	6	LYS	CG	C	25.3508
48	1	6	LYS	CD	C	27.1102
49	1	7	ASN	H	H	8.2007
50	1	7	ASN	HA	H	4.4839
51	1	7	ASN	HB2	H	2.9283
52	1	7	ASN	HB3	H	2.8459
53	1	7	ASN	HD21	H	7.7842
54	1	7	ASN	HD22	H	6.8971
55	1	7	ASN	CA	C	55.9101
56	1	7	ASN	CB	C	38.1981
57	1	8	LYS	H	H	7.9763
58	1	8	LYS	HA	H	4.1705
59	1	8	LYS	HB2	H	2.0250
60	1	8	LYS	HB3	H	2.0250
61	1	8	LYS	HG2	H	1.5102
62	1	8	LYS	HG3	H	1.5102
63	1	8	LYS	HD2	H	1.8644
64	1	8	LYS	HD3	H	1.6714
65	1	8	LYS	HE2	H	2.9480
66	1	8	LYS	HE3	H	2.9480
67	1	8	LYS	CA	C	59.5663
68	1	8	LYS	CB	C	32.2367
69	1	8	LYS	CG	C	25.6681
70	1	8	LYS	CD	C	27.0941
71	1	9	VAL	H	H	8.3581
72	1	9	VAL	HA	H	3.6497
73	1	9	VAL	HB	H	2.1750
74	1	9	VAL	HG11	H	0.8985
75	1	9	VAL	HG12	H	0.8985
76	1	9	VAL	HG13	H	0.8985
77	1	9	VAL	HG21	H	1.0350
78	1	9	VAL	HG22	H	1.0350
79	1	9	VAL	HG23	H	1.0350
80	1	9	VAL	CA	C	66.7352
81	1	9	VAL	CB	C	31.4027
82	1	9	VAL	CG1	C	22.1070
83	1	9	VAL	CG2	C	22.9689
84	1	10	SER	H	H	8.3724
85	1	10	SER	HA	H	4.1364
86	1	10	SER	HB2	H	4.0396
87	1	10	SER	HB3	H	4.0015
88	1	10	SER	CA	C	58.5137
89	1	10	SER	CB	C	62.6223
90	1	11	ASN	H	H	8.1171
91	1	11	ASN	HA	H	4.5063
92	1	11	ASN	HB2	H	2.9700
93	1	11	ASN	HB3	H	2.8090
94	1	11	ASN	HD21	H	7.7049
95	1	11	ASN	HD22	H	6.9235
96	1	11	ASN	CA	C	56.7733
97	1	11	ASN	CB	C	38.5104
98	1	12	LEU	H	H	8.0106
99	1	12	LEU	HA	H	4.1405
100	1	12	LEU	HB2	H	1.8459
101	1	12	LEU	HB3	H	1.8459
102	1	12	LEU	HG	H	1.7564
103	1	12	LEU	CA	C	57.8103
104	1	12	LEU	CB	C	41.7989
105	1	13	PHE	H	H	8.4054
106	1	13	PHE	HA	H	4.1910
107	1	13	PHE	HB2	H	3.2787
108	1	13	PHE	HB3	H	3.1809
109	1	13	PHE	HD1	H	7.2217
110	1	13	PHE	HD2	H	7.2217
111	1	13	PHE	HE1	H	7.2271
112	1	13	PHE	HE2	H	7.2271
113	1	13	PHE	HZ	H	7.1965
114	1	13	PHE	CA	C	61.3644
115	1	13	PHE	CB	C	38.9854
116	1	13	PHE	CD2	C	132.3416
117	1	13	PHE	CE2	C	131.4238
118	1	13	PHE	CZ	C	129.6063
119	1	14	LYS	H	H	7.9581
120	1	14	LYS	HA	H	3.9142
121	1	14	LYS	HB2	H	1.9501
122	1	14	LYS	HB3	H	1.9501
123	1	14	LYS	HG2	H	1.5048
124	1	14	LYS	HG3	H	1.5048
125	1	14	LYS	HD2	H	1.7162
126	1	14	LYS	HD3	H	1.7162
127	1	14	LYS	HE2	H	2.9945
128	1	14	LYS	HE3	H	2.9945
129	1	14	LYS	CA	C	59.4609
130	1	14	LYS	CB	C	32.3187
131	1	14	LYS	CD	C	27.0217
132	1	15	LYS	H	H	7.7390
133	1	15	LYS	HA	H	4.1060
134	1	15	LYS	HB2	H	1.9880
135	1	15	LYS	HB3	H	1.9880
136	1	15	LYS	HG2	H	1.4695
137	1	15	LYS	HG3	H	1.4695
138	1	15	LYS	HD2	H	1.6808
139	1	15	LYS	HD3	H	1.6808
140	1	15	LYS	HE2	H	2.9480
141	1	15	LYS	HE3	H	2.9480
142	1	15	LYS	CA	C	58.7375
143	1	15	LYS	CB	C	32.7998
144	1	16	ILE	H	H	7.7837
145	1	16	ILE	HA	H	3.8386
146	1	16	ILE	HB	H	1.8749
147	1	16	ILE	HG12	H	1.2011
148	1	16	ILE	HG13	H	1.6731
149	1	16	ILE	HG21	H	0.8891
150	1	16	ILE	HG22	H	0.8891
151	1	16	ILE	HG23	H	0.8891
152	1	16	ILE	CA	C	62.9899
153	1	16	ILE	CB	C	38.5041
154	1	16	ILE	CG2	C	16.5007
155	1	17	LYS	H	H	7.7745
156	1	17	LYS	HA	H	4.0100
157	1	17	LYS	HB2	H	1.8991
158	1	17	LYS	HB3	H	1.8991
159	1	17	LYS	HG2	H	1.3115
160	1	17	LYS	HG3	H	1.3115
161	1	17	LYS	HD2	H	1.6713
162	1	17	LYS	HD3	H	1.5748
163	1	17	LYS	HE2	H	2.8619
164	1	17	LYS	HE3	H	2.8619
165	1	17	LYS	CA	C	60.7358
166	1	17	LYS	CB	C	32.3879
167	1	17	LYS	CG	C	24.6772
168	1	17	LYS	CD	C	27.0827
169	1	18	NH2	HN1	H	7.0464
170	1	18	NH2	HN2	H	7.3644

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