BMRB: 36788

Linear fragment of lycosin9I with anti-MRSA activity

Authors

Mironov, P.A., Dubovskii, P.V., Shenkarev, Z.O.

Assembly

Lycosin 9i 3k

Entity

1. Lycosin 9i 3k (polymer, Thiol state: not present), 14 monomers, 1541.923 Da Detail

IWLSLMKFAG KHLX

Formula weight

1541.923 Da

Entity Connection

covalent 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:LEU13:C	1:NH214:N

Source organism

Lycosa erythrognatha

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 104, ¹³C: 37, ¹⁵N: 13 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	ILE	HA	H	3.911	0.020	1
2	1	1	ILE	HB	H	1.986	0.020	1
3	1	1	ILE	HD11	H	0.747	0.020	1
4	1	1	ILE	HD12	H	0.747	0.020	1
5	1	1	ILE	HD13	H	0.747	0.020	1
6	1	1	ILE	HG12	H	1.694	0.020	2
7	1	1	ILE	HG13	H	1.811	0.020	2
8	1	1	ILE	HG21	H	1.039	0.020	1
9	1	1	ILE	HG22	H	1.039	0.020	1
10	1	1	ILE	HG23	H	1.039	0.020	1
11	1	1	ILE	CA	C	61.207	0.400	1
12	1	1	ILE	CB	C	38.587	0.400	1
13	1	1	ILE	CD1	C	16.070	0.400	1
14	1	1	ILE	CG1	C	28.464	0.400	1
15	1	1	ILE	CG2	C	24.029	0.400	1
16	1	2	TRP	H	H	8.345	0.020	1
17	1	2	TRP	HA	H	4.688	0.020	1
18	1	2	TRP	HB2	H	3.412	0.020	2
19	1	2	TRP	HB3	H	3.504	0.020	2
20	1	2	TRP	HD1	H	7.555	0.020	1
21	1	2	TRP	HE1	H	10.271	0.020	1
22	1	2	TRP	HE3	H	7.046	0.020	1
23	1	2	TRP	HH2	H	7.154	0.020	1
24	1	2	TRP	HZ2	H	7.510	0.020	1
25	1	2	TRP	HZ3	H	7.579	0.020	1
26	1	2	TRP	CB	C	29.341	0.400	1
27	1	2	TRP	N	N	124.257	0.400	1
28	1	2	TRP	NE1	N	129.092	0.400	1
29	1	3	LEU	H	H	8.476	0.020	1
30	1	3	LEU	HA	H	4.248	0.020	1
31	1	3	LEU	HB2	H	1.758	0.020	2
32	1	3	LEU	HB3	H	1.758	0.020	2
33	1	3	LEU	HD11	H	1.018	0.020	2
34	1	3	LEU	HD12	H	1.018	0.020	2
35	1	3	LEU	HD13	H	1.018	0.020	2
36	1	3	LEU	HD21	H	1.089	0.020	2
37	1	3	LEU	HD22	H	1.089	0.020	2
38	1	3	LEU	HD23	H	1.089	0.020	2
39	1	3	LEU	HG	H	1.661	0.020	1
40	1	3	LEU	CA	C	57.390	0.400	1
41	1	3	LEU	CB	C	41.155	0.400	1
42	1	3	LEU	CD1	C	23.838	0.400	2
43	1	3	LEU	CD2	C	24.301	0.400	2
44	1	3	LEU	N	N	120.763	0.400	1
45	1	4	SER	H	H	8.174	0.020	1
46	1	4	SER	HA	H	4.315	0.020	1
47	1	4	SER	HB2	H	3.993	0.020	2
48	1	4	SER	HB3	H	3.993	0.020	2
49	1	4	SER	CA	C	61.256	0.400	1
50	1	4	SER	CB	C	62.318	0.400	1
51	1	4	SER	N	N	115.050	0.400	1
52	1	5	LEU	H	H	7.903	0.020	1
53	1	5	LEU	HA	H	4.310	0.020	1
54	1	5	LEU	HB2	H	1.998	0.020	2
55	1	5	LEU	HB3	H	1.921	0.020	2
56	1	5	LEU	HD11	H	1.037	0.020	2
57	1	5	LEU	HD12	H	1.037	0.020	2
58	1	5	LEU	HD13	H	1.037	0.020	2
59	1	5	LEU	HD21	H	0.993	0.020	2
60	1	5	LEU	HD22	H	0.993	0.020	2
61	1	5	LEU	HD23	H	0.993	0.020	2
62	1	5	LEU	HG	H	1.839	0.020	1
63	1	5	LEU	CA	C	57.689	0.400	1
64	1	5	LEU	CB	C	41.649	0.400	1
65	1	5	LEU	CD1	C	23.390	0.400	2
66	1	5	LEU	CD2	C	24.896	0.400	2
67	1	5	LEU	CG	C	29.077	0.400	1
68	1	5	LEU	N	N	122.090	0.400	1
69	1	6	MET	H	H	8.226	0.020	1
70	1	6	MET	HA	H	4.313	0.020	1
71	1	6	MET	HB2	H	2.794	0.020	2
72	1	6	MET	HB3	H	2.596	0.020	2
73	1	6	MET	HG2	H	2.285	0.020	2
74	1	6	MET	HG3	H	2.353	0.020	2
75	1	6	MET	CA	C	58.372	0.400	1
76	1	6	MET	CB	C	32.393	0.400	1
77	1	6	MET	CG	C	36.171	0.400	1
78	1	6	MET	N	N	117.851	0.400	1
79	1	7	LYS	H	H	8.336	0.020	1
80	1	7	LYS	HA	H	4.196	0.020	1
81	1	7	LYS	HB2	H	2.054	0.020	2
82	1	7	LYS	HB3	H	1.995	0.020	2
83	1	7	LYS	HE2	H	3.054	0.020	2
84	1	7	LYS	HE3	H	3.054	0.020	2
85	1	7	LYS	HG2	H	1.548	0.020	2
86	1	7	LYS	HG3	H	1.664	0.020	2
87	1	7	LYS	CA	C	58.903	0.400	1
88	1	7	LYS	CE	C	42.039	0.400	1
89	1	7	LYS	CG	C	25.173	0.400	1
90	1	7	LYS	N	N	119.436	0.400	1
91	1	8	PHE	H	H	8.103	0.020	1
92	1	8	PHE	HA	H	4.452	0.020	1
93	1	8	PHE	HB2	H	3.426	0.020	2
94	1	8	PHE	HB3	H	3.426	0.020	2
95	1	8	PHE	HD1	H	7.400	0.020	1
96	1	8	PHE	HD2	H	7.400	0.020	1
97	1	8	PHE	HE1	H	7.354	0.020	1
98	1	8	PHE	HE2	H	7.354	0.020	1
99	1	8	PHE	HZ	H	7.185	0.020	1
100	1	8	PHE	CA	C	60.609	0.400	1
101	1	8	PHE	CB	C	39.094	0.400	1
102	1	8	PHE	N	N	120.026	0.400	1
103	1	9	ALA	H	H	8.599	0.020	1
104	1	9	ALA	HA	H	4.081	0.020	1
105	1	9	ALA	HB1	H	1.660	0.020	1
106	1	9	ALA	HB2	H	1.660	0.020	1
107	1	9	ALA	HB3	H	1.660	0.020	1
108	1	9	ALA	CA	C	54.880	0.400	1
109	1	9	ALA	CB	C	18.302	0.400	1
110	1	9	ALA	N	N	121.647	0.400	1
111	1	10	GLY	H	H	8.559	0.020	1
112	1	10	GLY	HA2	H	3.912	0.020	2
113	1	10	GLY	HA3	H	4.071	0.020	2
114	1	10	GLY	CA	C	46.722	0.400	1
115	1	10	GLY	N	N	104.324	0.400	1
116	1	11	LYS	H	H	7.768	0.020	1
117	1	11	LYS	HA	H	4.250	0.020	1
118	1	11	LYS	HB2	H	1.852	0.020	2
119	1	11	LYS	HB3	H	1.717	0.020	2
120	1	11	LYS	HE2	H	3.020	0.020	2
121	1	11	LYS	HE3	H	3.020	0.020	2
122	1	11	LYS	HG2	H	1.381	0.020	2
123	1	11	LYS	HG3	H	1.407	0.020	2
124	1	11	LYS	CA	C	57.309	0.400	1
125	1	11	LYS	CE	C	42.039	0.400	1
126	1	11	LYS	CG	C	24.947	0.400	1
127	1	11	LYS	N	N	118.846	0.400	1
128	1	12	HIS	H	H	7.799	0.020	1
129	1	12	HIS	HA	H	4.691	0.020	1
130	1	12	HIS	HB2	H	2.828	0.020	2
131	1	12	HIS	HB3	H	3.396	0.020	2
132	1	12	HIS	HD2	H	6.952	0.020	1
133	1	12	HIS	HE1	H	8.665	0.020	1
134	1	12	HIS	CB	C	29.083	0.400	1
135	1	12	HIS	N	N	114.294	0.400	1
136	1	13	LEU	H	H	7.946	0.020	1
137	1	13	LEU	HA	H	4.538	0.020	1
138	1	13	LEU	HB2	H	1.868	0.020	2
139	1	13	LEU	HB3	H	1.868	0.020	2
140	1	13	LEU	HD11	H	0.975	0.020	2
141	1	13	LEU	HD12	H	0.975	0.020	2
142	1	13	LEU	HD13	H	0.975	0.020	2
143	1	13	LEU	HD21	H	1.040	0.020	2
144	1	13	LEU	HD22	H	1.040	0.020	2
145	1	13	LEU	HD23	H	1.040	0.020	2
146	1	13	LEU	HG	H	1.731	0.020	1
147	1	13	LEU	CA	C	54.607	0.400	1
148	1	13	LEU	CB	C	42.685	0.400	1
149	1	13	LEU	CD1	C	24.828	0.400	2
150	1	13	LEU	CD2	C	25.543	0.400	2
151	1	13	LEU	CG	C	27.254	0.400	1
152	1	13	LEU	N	N	120.431	0.400	1
153	1	14	NH2	HN1	H	7.026	0.020	1
154	1	14	NH2	HN2	H	7.236	0.020	1

Release date

2026-03-08

Citation

NMR Unveils Activity Mechanism of Linear Spider Venom Peptide Fragments Selected by Neural Networks Against Staphylococci Including MRSA
Mironov, P.A., Baranova, A.A., Alferova, V.A., Egorova, N.S., Ignatova, A.A., Feofanov, A.V., Shenkarev, Z.O., Dubovskii, P.V.
Pharmaceutics (2025), 17, PubMed 41471040 , DOI 10.3390/pharmaceutics17121526 , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail