BMRB: 31093

Solution NMR structure of synthetic peptide AMPCry10Aa_5 rational designed from Cry10Aa bacterial protein

Authors

Barra, J.B., Freitas, C.D.P., Rios, T.B., Maximiano, M.R., Fernandes, F.C., Amorim, G.C., Porto, W.F., Grossi-de-Sa, M.F., Franco, O.F., Liao, L.M.

Assembly

Pesticidal crystal protein Cry10Aa peptide

Entity

1. Pesticidal crystal protein Cry10Aa peptide (polymer), 21 monomers, 2251.730 Da Detail

IINVKTSLKT IIKNALDKIQ X

Formula weight

2251.73 Da

Source organism

Bacillus thuringiensis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 158, ¹³C: 72 assignments Detail

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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ILE	HA	H	4.035	0.0	1
2	1	1	ILE	HB	H	1.989	0.0	1
3	1	1	ILE	HG12	H	1.601	0.0	2
4	1	1	ILE	HG13	H	1.601	0.0	2
5	1	1	ILE	HG21	H	1.038	0.0	1
6	1	1	ILE	HG22	H	1.038	0.0	1
7	1	1	ILE	HG23	H	1.038	0.0	1
8	1	1	ILE	CA	C	60.377		1
9	1	1	ILE	CB	C	39.154		1
10	1	1	ILE	CG1	C	26.824		1
11	1	1	ILE	CG2	C	16.703		1
12	1	2	ILE	H	H	8.017	0.0	1
13	1	2	ILE	HA	H	4.209	0.0	1
14	1	2	ILE	HB	H	1.902	0.0	1
15	1	2	ILE	HG12	H	1.178	0.002	2
16	1	2	ILE	HG13	H	1.178	0.002	2
17	1	2	ILE	HG21	H	0.948	0.002	1
18	1	2	ILE	HG22	H	0.948	0.002	1
19	1	2	ILE	HG23	H	0.948	0.002	1
20	1	2	ILE	CA	C	61.488		1
21	1	2	ILE	CB	C	39.276		1
22	1	2	ILE	CG1	C	27.055		1
23	1	2	ILE	CG2	C	17.506		1
24	1	3	ASN	H	H	8.401	0.0	1
25	1	3	ASN	HA	H	4.851	0.0	1
26	1	3	ASN	HB2	H	2.781	0.0	2
27	1	3	ASN	HB3	H	3.013	0.009	2
28	1	3	ASN	HD21	H	6.847	0.002	1
29	1	3	ASN	HD22	H	7.615	0.0	1
30	1	3	ASN	CB	C	38.701	0.0	1
31	1	4	VAL	H	H	8.398	0.001	1
32	1	4	VAL	HA	H	3.738	0.0	1
33	1	4	VAL	HB	H	2.207	0.0	1
34	1	4	VAL	HG11	H	0.948	0.0	2
35	1	4	VAL	HG12	H	0.948	0.0	2
36	1	4	VAL	HG13	H	0.948	0.0	2
37	1	4	VAL	HG21	H	1.039	0.0	2
38	1	4	VAL	HG22	H	1.039	0.0	2
39	1	4	VAL	HG23	H	1.039	0.0	2
40	1	4	VAL	CA	C	65.583		1
41	1	4	VAL	CB	C	31.950		1
42	1	4	VAL	CG1	C	21.566		2
43	1	4	VAL	CG2	C	22.176		2
44	1	5	LYS	H	H	8.259	0.002	1
45	1	5	LYS	HA	H	3.929	0.002	1
46	1	5	LYS	HB2	H	1.946	0.003	2
47	1	5	LYS	HB3	H	1.946	0.002	2
48	1	5	LYS	HG2	H	1.385	0.0	2
49	1	5	LYS	HG3	H	1.385	0.0	2
50	1	5	LYS	HD2	H	1.798	0.0	2
51	1	5	LYS	HD3	H	1.798	0.0	2
52	1	5	LYS	HE2	H	3.034	0.0	2
53	1	5	LYS	HE3	H	3.034	0.002	2
54	1	5	LYS	CA	C	60.593		1
55	1	5	LYS	CB	C	32.132		1
56	1	5	LYS	CG	C	25.865		1
57	1	5	LYS	CD	C	29.372		1
58	1	5	LYS	CE	C	42.161		1
59	1	6	THR	H	H	7.987	0.0	1
60	1	6	THR	HA	H	4.045	0.006	1
61	1	6	THR	HB	H	4.168	0.0	1
62	1	6	THR	HG21	H	1.252	0.003	1
63	1	6	THR	HG22	H	1.252	0.003	1
64	1	6	THR	HG23	H	1.252	0.003	1
65	1	6	THR	CA	C	65.299		1
66	1	6	THR	CB	C	68.688		1
67	1	6	THR	CG2	C	21.804		1
68	1	7	SER	H	H	8.132	0.0	1
69	1	7	SER	HA	H	4.391	0.0	1
70	1	7	SER	HB2	H	4.049	0.003	2
71	1	7	SER	HB3	H	3.910	0.003	2
72	1	7	SER	CA	C	61.772		1
73	1	7	SER	CB	C	63.048	0.0	1
74	1	8	LEU	H	H	8.439	0.0	1
75	1	8	LEU	HA	H	4.080	0.011	1
76	1	8	LEU	HB2	H	1.574	0.003	2
77	1	8	LEU	HB3	H	1.574	0.003	2
78	1	8	LEU	HG	H	1.862	0.0	1
79	1	8	LEU	HD11	H	0.901	0.0	1
80	1	8	LEU	HD12	H	0.901	0.0	1
81	1	8	LEU	HD13	H	0.901	0.0	1
82	1	8	LEU	CA	C	58.062		1
83	1	8	LEU	CB	C	41.760		1
84	1	8	LEU	CG	C	27.067		1
85	1	8	LEU	CD1	C	23.948		1
86	1	9	LYS	H	H	8.138	0.001	1
87	1	9	LYS	HA	H	3.831	0.005	1
88	1	9	LYS	HB2	H	1.966	0.006	2
89	1	9	LYS	HB3	H	1.966	0.006	2
90	1	9	LYS	HG2	H	1.644	0.006	2
91	1	9	LYS	HG3	H	1.644	0.006	2
92	1	9	LYS	HD2	H	1.777	0.005	2
93	1	9	LYS	HD3	H	1.777	0.005	2
94	1	9	LYS	HE2	H	2.972	0.0	2
95	1	9	LYS	HE3	H	2.972	0.0	2
96	1	9	LYS	CA	C	60.944		1
97	1	9	LYS	CB	C	32.021		1
98	1	9	LYS	CG	C	25.828		1
99	1	9	LYS	CD	C	29.379		1
100	1	9	LYS	CE	C	42.103		1
101	1	10	THR	H	H	7.807	0.001	1
102	1	10	THR	HA	H	3.857	0.005	1
103	1	10	THR	HB	H	4.391	0.0	1
104	1	10	THR	HG21	H	1.265	0.001	1
105	1	10	THR	HG22	H	1.265	0.001	1
106	1	10	THR	HG23	H	1.265	0.001	1
107	1	10	THR	CA	C	66.859		1
108	1	10	THR	CB	C	68.945		1
109	1	10	THR	CG2	C	21.840		1
110	1	11	ILE	H	H	7.932	0.0	1
111	1	11	ILE	HA	H	3.841	0.005	1
112	1	11	ILE	HB	H	1.999	0.007	1
113	1	11	ILE	HG12	H	1.271	0.001	2
114	1	11	ILE	HG13	H	1.271	0.001	2
115	1	11	ILE	HG21	H	0.969	0.004	1
116	1	11	ILE	HG22	H	0.969	0.004	1
117	1	11	ILE	HG23	H	0.969	0.004	1
118	1	11	ILE	HD11	H	0.890	0.006	1
119	1	11	ILE	HD12	H	0.890	0.006	1
120	1	11	ILE	HD13	H	0.890	0.006	1
121	1	11	ILE	CA	C	65.315		1
122	1	11	ILE	CB	C	38.488		1
123	1	11	ILE	CG1	C	28.517		1
124	1	11	ILE	CG2	C	17.487		1
125	1	11	ILE	CD1	C	13.693		1
126	1	12	ILE	H	H	8.273	0.006	1
127	1	12	ILE	HA	H	3.669	0.0	1
128	1	12	ILE	HB	H	1.967	0.005	1
129	1	12	ILE	HG12	H	1.164	0.002	2
130	1	12	ILE	HG13	H	1.164	0.002	2
131	1	12	ILE	HG21	H	0.935	0.006	1
132	1	12	ILE	HG22	H	0.935	0.006	1
133	1	12	ILE	HG23	H	0.935	0.006	1
134	1	12	ILE	HD11	H	0.829	0.0	1
135	1	12	ILE	HD12	H	0.829	0.0	1
136	1	12	ILE	HD13	H	0.829	0.0	1
137	1	12	ILE	CA	C	65.181		1
138	1	12	ILE	CB	C	37.387		1
139	1	12	ILE	CG1	C	27.125		1
140	1	12	ILE	CG2	C	17.552		1
141	1	12	ILE	CD1	C	13.092		1
142	1	13	LYS	H	H	8.316	0.007	1
143	1	13	LYS	HA	H	3.929	0.0	1
144	1	13	LYS	HB2	H	1.997	0.009	2
145	1	13	LYS	HB3	H	1.998	0.007	2
146	1	13	LYS	HG2	H	1.486	0.0	2
147	1	13	LYS	HG3	H	1.486	0.0	2
148	1	13	LYS	HD2	H	1.656	0.002	2
149	1	13	LYS	HD3	H	1.656	0.002	2
150	1	13	LYS	CA	C	59.829		1
151	1	13	LYS	CB	C	32.007		1
152	1	13	LYS	CG	C	25.045		1
153	1	13	LYS	CD	C	28.935		1
154	1	14	ASN	H	H	8.337	0.009	1
155	1	14	ASN	HA	H	4.479	0.001	1
156	1	14	ASN	HB2	H	3.049	0.0	2
157	1	14	ASN	HB3	H	2.832	0.0	2
158	1	14	ASN	HD21	H	7.614	0.0	1
159	1	14	ASN	HD22	H	6.839	0.0	1
160	1	14	ASN	CA	C	55.824		1
161	1	14	ASN	CB	C	37.658	0.0	1
162	1	15	ALA	H	H	8.303	0.012	1
163	1	15	ALA	HA	H	4.127	0.003	1
164	1	15	ALA	HB1	H	1.557	0.004	1
165	1	15	ALA	HB2	H	1.557	0.004	1
166	1	15	ALA	HB3	H	1.557	0.004	1
167	1	15	ALA	CA	C	55.433		1
168	1	15	ALA	CB	C	18.269		1
169	1	16	LEU	H	H	8.563	0.0	1
170	1	16	LEU	HA	H	4.031	0.003	1
171	1	16	LEU	HB2	H	1.660	0.001	2
172	1	16	LEU	HB3	H	1.659	0.004	2
173	1	16	LEU	HG	H	1.871	0.0	1
174	1	16	LEU	HD11	H	0.910	0.0	1
175	1	16	LEU	HD12	H	0.910	0.0	1
176	1	16	LEU	HD13	H	0.910	0.0	1
177	1	16	LEU	CA	C	57.901		1
178	1	16	LEU	CB	C	41.468		1
179	1	16	LEU	CG	C	27.032		1
180	1	16	LEU	CD1	C	25.172		1
181	1	17	ASP	H	H	8.282	0.004	1
182	1	17	ASP	HA	H	4.483	0.001	1
183	1	17	ASP	HB2	H	2.886	0.0	2
184	1	17	ASP	HB3	H	3.049	0.006	2
185	1	17	ASP	CA	C	55.772		1
186	1	17	ASP	CB	C	38.556		1
187	1	18	LYS	H	H	7.800	0.001	1
188	1	18	LYS	HA	H	4.137	0.0	1
189	1	18	LYS	HB2	H	2.042	0.005	2
190	1	18	LYS	HB3	H	2.043	0.003	2
191	1	18	LYS	HG2	H	1.622	0.0	2
192	1	18	LYS	HG3	H	1.536	0.0	2
193	1	18	LYS	HD2	H	1.739	0.0	2
194	1	18	LYS	HD3	H	1.739	0.0	2
195	1	18	LYS	HE2	H	3.017	0.0	2
196	1	18	LYS	HE3	H	3.017	0.0	2
197	1	18	LYS	CA	C	58.521		1
198	1	18	LYS	CB	C	32.567		1
199	1	18	LYS	CG	C	25.084		1
200	1	18	LYS	CD	C	29.209		1
201	1	18	LYS	CE	C	42.169		1
202	1	19	ILE	H	H	7.878	0.0	1
203	1	19	ILE	HA	H	3.974	0.0	1
204	1	19	ILE	HB	H	2.004	0.002	1
205	1	19	ILE	HG12	H	1.280	0.005	2
206	1	19	ILE	HG13	H	1.280	0.004	2
207	1	19	ILE	HG21	H	0.987	0.003	1
208	1	19	ILE	HG22	H	0.987	0.003	1
209	1	19	ILE	HG23	H	0.987	0.003	1
210	1	19	ILE	HD11	H	0.904	0.004	1
211	1	19	ILE	HD12	H	0.904	0.004	1
212	1	19	ILE	HD13	H	0.904	0.004	1
213	1	19	ILE	CA	C	63.498		1
214	1	19	ILE	CB	C	39.148		1
215	1	19	ILE	CG1	C	26.826		1
216	1	19	ILE	CG2	C	17.479		1
217	1	19	ILE	CD1	C	13.688		1
218	1	20	GLN	H	H	8.110	0.004	1
219	1	20	GLN	HA	H	4.213	0.0	1
220	1	20	GLN	HB2	H	2.113	0.0	2
221	1	20	GLN	HB3	H	2.113	0.0	2
222	1	20	GLN	HG2	H	2.383	0.0	2
223	1	20	GLN	HG3	H	2.526	0.0	2
224	1	20	GLN	HE21	H	7.233	0.0	1
225	1	20	GLN	HE22	H	6.744	0.0	1
226	1	20	GLN	CA	C	56.721		1
227	1	20	GLN	CB	C	29.574		1
228	1	20	GLN	CG	C	34.479	0.0	1
229	1	21	NH2	HN1	H	7.165	0.0	1
230	1	21	NH2	HN2	H	7.094	0.0	1

Release date

2023-09-18

Citation

Solution NMR structure of synthetic peptide AMPCry10Aa_5 rational designed from Cry10Aa bacterial protein
Barra, J.B., Freitas, C.D.P., Rios, T.B., Maximiano, M.R., Fernandes, F.C., Amorim, G.C., Porto, W.F., Grossi-de-Sa, M.F., Franco, O.F., Liao, L.M.

Related entities 1. Pesticidal crystal protein Cry10Aa peptide, : 1 : 2 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail