BMRB: 31088

Solution NMR structure of a multifunctional synthetic peptide Hp-MAP3 derived from Temporin-PTa

Authors

Freitas, C.D.P., Migliolo, L., Silva, P.S., Liao, L.M.

Assembly

Hp-MAP3 peptide

Entity

1. Hp-MAP3 peptide (polymer), 13 monomers, 1478.988 Da Detail

LLKKVLALLK KVL

Formula weight

1478.988 Da

Source organism

Pulchrana picturata

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 117, ¹³C: 54 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	LEU	HA	H	4.027	0.0	1
2	1	1	LEU	HB2	H	1.589	0.0	1
3	1	1	LEU	HB3	H	1.589	0.0	1
4	1	1	LEU	HD11	H	1.026	0.0	2
5	1	1	LEU	HD12	H	1.026	0.0	2
6	1	1	LEU	HD13	H	1.026	0.0	2
7	1	1	LEU	HD21	H	1.026	0.0	2
8	1	1	LEU	HD22	H	1.026	0.0	2
9	1	1	LEU	HD23	H	1.026	0.0	2
10	1	1	LEU	CB	C	41.802		1
11	1	1	LEU	CD1	C	24.514		1
12	1	1	LEU	CD2	C	24.514		1
13	1	2	LEU	H	H	7.681	0.0	1
14	1	2	LEU	HA	H	4.129	0.0	1
15	1	2	LEU	HD11	H	0.967	0.0	2
16	1	2	LEU	HD12	H	0.967	0.0	2
17	1	2	LEU	HD13	H	0.967	0.0	2
18	1	2	LEU	HD21	H	0.967	0.0	2
19	1	2	LEU	HD22	H	0.967	0.0	2
20	1	2	LEU	HD23	H	0.967	0.0	2
21	1	2	LEU	CA	C	57.804		1
22	1	2	LEU	CD1	C	25.075		1
23	1	2	LEU	CD2	C	25.075		1
24	1	3	LYS	H	H	7.938	0.0	1
25	1	3	LYS	HA	H	4.165	0.0	1
26	1	3	LYS	HB2	H	2.023	0.0	2
27	1	3	LYS	HB3	H	2.023	0.0	2
28	1	3	LYS	HG2	H	1.575	0.0	2
29	1	3	LYS	HG3	H	1.575	0.0	2
30	1	3	LYS	HD2	H	1.739	0.0	2
31	1	3	LYS	HD3	H	1.739	0.0	2
32	1	3	LYS	HE2	H	3.009	0.0	2
33	1	3	LYS	HE3	H	3.009	0.0	2
34	1	3	LYS	CA	C	57.650		1
35	1	3	LYS	CB	C	32.116		1
36	1	3	LYS	CG	C	25.540		1
37	1	3	LYS	CD	C	29.235		1
38	1	3	LYS	CE	C	42.236		1
39	1	4	LYS	H	H	8.278	0.0	1
40	1	4	LYS	HA	H	3.955	0.0	1
41	1	4	LYS	HB2	H	1.856	0.0	2
42	1	4	LYS	HB3	H	1.926	0.0	2
43	1	4	LYS	HG2	H	1.566	0.0	2
44	1	4	LYS	HG3	H	1.444	0.0	2
45	1	4	LYS	HD2	H	1.733	0.0	2
46	1	4	LYS	HD3	H	1.733	0.0	2
47	1	4	LYS	HE2	H	3.030	0.0	1
48	1	4	LYS	HE3	H	3.030	0.0	1
49	1	4	LYS	CA	C	60.175		1
50	1	4	LYS	CB	C	32.125		1
51	1	4	LYS	CG	C	25.543	0.0	1
52	1	4	LYS	CD	C	29.277		1
53	1	4	LYS	CE	C	42.308		1
54	1	5	VAL	H	H	7.627	0.0	1
55	1	5	VAL	HA	H	3.624	0.0	1
56	1	5	VAL	HB	H	2.205	0.0	1
57	1	5	VAL	HG11	H	1.057	0.0	2
58	1	5	VAL	HG12	H	1.057	0.0	2
59	1	5	VAL	HG13	H	1.057	0.0	2
60	1	5	VAL	HG21	H	0.948	0.0	2
61	1	5	VAL	HG22	H	0.948	0.0	2
62	1	5	VAL	HG23	H	0.948	0.0	2
63	1	5	VAL	CB	C	31.559		1
64	1	5	VAL	CG1	C	23.086		2
65	1	5	VAL	CG2	C	21.439		2
66	1	6	LEU	H	H	8.178	0.001	1
67	1	6	LEU	HA	H	4.038	0.0	1
68	1	6	LEU	HB2	H	1.645	0.0	2
69	1	6	LEU	HB3	H	1.645	0.0	2
70	1	6	LEU	HD11	H	0.895	0.0	2
71	1	6	LEU	HD12	H	0.895	0.0	2
72	1	6	LEU	HD13	H	0.895	0.0	2
73	1	6	LEU	HD21	H	0.895	0.0	2
74	1	6	LEU	HD22	H	0.895	0.0	2
75	1	6	LEU	HD23	H	0.895	0.0	2
76	1	6	LEU	CA	C	58.021		1
77	1	6	LEU	CB	C	41.382		1
78	1	6	LEU	CD1	C	23.204		1
79	1	6	LEU	CD2	C	23.204		1
80	1	7	ALA	H	H	7.634	0.0	1
81	1	7	ALA	HA	H	4.056	0.0	1
82	1	7	ALA	HB1	H	1.524	0.0	1
83	1	7	ALA	HB2	H	1.524	0.0	1
84	1	7	ALA	HB3	H	1.524	0.0	1
85	1	7	ALA	CA	C	55.016		1
86	1	7	ALA	CB	C	18.148	0.0	1
87	1	8	LEU	H	H	7.681	0.0	1
88	1	8	LEU	HA	H	4.131	0.0	1
89	1	8	LEU	HB2	H	1.918	0.0	2
90	1	8	LEU	HB3	H	1.918	0.0	2
91	1	8	LEU	HG	H	1.829	0.0	1
92	1	8	LEU	HD11	H	0.940	0.0	1
93	1	8	LEU	HD12	H	0.940	0.0	1
94	1	8	LEU	HD13	H	0.940	0.0	1
95	1	8	LEU	CA	C	57.768		1
96	1	8	LEU	CB	C	41.860		1
97	1	8	LEU	CG	C	27.114		1
98	1	8	LEU	CD1	C	23.806		1
99	1	8	LEU	CD2	C	23.806		1
100	1	9	LEU	H	H	8.178	0.001	1
101	1	9	LEU	HA	H	4.020	0.001	1
102	1	9	LEU	HB2	H	1.898	0.0	2
103	1	9	LEU	HB3	H	1.898	0.0	2
104	1	9	LEU	HG	H	1.793	0.0	1
105	1	9	LEU	HD11	H	0.856	0.0	1
106	1	9	LEU	HD12	H	0.856	0.0	1
107	1	9	LEU	HD13	H	0.856	0.0	1
108	1	9	LEU	HD21	H	0.856	0.0	1
109	1	9	LEU	HD22	H	0.856	0.0	1
110	1	9	LEU	HD23	H	0.856	0.0	1
111	1	9	LEU	CA	C	57.880		1
112	1	9	LEU	CB	C	41.810		1
113	1	9	LEU	CG	C	27.164		1
114	1	9	LEU	CD1	C	23.563		1
115	1	9	LEU	CD2	C	23.563		1
116	1	10	LYS	H	H	7.977	0.0	1
117	1	10	LYS	HA	H	4.044	0.0	1
118	1	10	LYS	HB2	H	1.896	0.0	2
119	1	10	LYS	HB3	H	1.895	0.006	2
120	1	10	LYS	HG2	H	1.533	0.0	2
121	1	10	LYS	HG3	H	1.533	0.0	2
122	1	10	LYS	HD2	H	1.701	0.0	2
123	1	10	LYS	HD3	H	1.701	0.0	2
124	1	10	LYS	HE2	H	2.973	0.0	2
125	1	10	LYS	HE3	H	2.973	0.0	2
126	1	10	LYS	CA	C	58.217		1
127	1	10	LYS	CB	C	32.058		1
128	1	10	LYS	CG	C	25.503		1
129	1	10	LYS	CD	C	29.187		1
130	1	10	LYS	CE	C	42.145		1
131	1	11	LYS	H	H	7.685	0.0	1
132	1	11	LYS	HA	H	4.233	0.0	1
133	1	11	LYS	HB2	H	2.072	0.0	2
134	1	11	LYS	HB3	H	2.072	0.0	2
135	1	11	LYS	HG2	H	1.450	0.0	2
136	1	11	LYS	HG3	H	1.567	0.0	2
137	1	11	LYS	HD2	H	1.731	0.0	2
138	1	11	LYS	HD3	H	1.731	0.0	2
139	1	11	LYS	HE2	H	3.026	0.0	2
140	1	11	LYS	HE3	H	3.026	0.0	2
141	1	11	LYS	CA	C	58.247		1
142	1	11	LYS	CB	C	32.971		1
143	1	11	LYS	CG	C	25.549		1
144	1	11	LYS	CD	C	29.204		1
145	1	11	LYS	CE	C	42.231		1
146	1	12	VAL	H	H	7.612	0.0	1
147	1	12	VAL	HA	H	4.353	0.0	1
148	1	12	VAL	HB	H	2.330	0.0	1
149	1	12	VAL	HG11	H	0.986	0.0	2
150	1	12	VAL	HG12	H	0.986	0.0	2
151	1	12	VAL	HG13	H	0.986	0.0	2
152	1	12	VAL	HG21	H	1.034	0.0	2
153	1	12	VAL	HG22	H	1.034	0.0	2
154	1	12	VAL	HG23	H	1.034	0.0	2
155	1	12	VAL	CA	C	62.288		1
156	1	12	VAL	CB	C	33.161		1
157	1	12	VAL	CG1	C	21.679		2
158	1	12	VAL	CG2	C	19.935		2
159	1	13	LEU	H	H	7.461	0.0	1
160	1	13	LEU	HA	H	4.232	0.0	1
161	1	13	LEU	HB2	H	1.606	0.0	2
162	1	13	LEU	HB3	H	1.691	0.0	2
163	1	13	LEU	HG	H	1.783	0.0	1
164	1	13	LEU	HD11	H	0.897	0.0	1
165	1	13	LEU	HD12	H	0.897	0.0	1
166	1	13	LEU	HD13	H	0.897	0.0	1
167	1	13	LEU	CA	C	56.576	0.001	1
168	1	13	LEU	CB	C	43.119		1
169	1	13	LEU	CG	C	27.145		1
170	1	13	LEU	CD1	C	25.852		1
171	1	13	LEU	CD2	C	25.852		1

Release date

2023-09-18

Citation

Solution NMR structure of a multifunctional synthetic peptide Hp-MAP3 derived from Temporin-PTa
Freitas, C.D.P., Migliolo, L., Silva, P.S., Liao, L.M.

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail