BMRB: 31092

Solution NMR structure alpha-helix 3 of Cry10Aa 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, 2298.699 Da Detail

IINVLTSIVT PIKNQLDKYQ X

Formula weight

2298.699 Da

Source organism

Bacillus thuringiensis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 153, ¹³C: 73 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ILE	HA	H	4.072	0.001	1
2	1	1	ILE	HB	H	1.996	0.0	1
3	1	1	ILE	HG12	H	1.614	0.0	2
4	1	1	ILE	HG13	H	1.308	0.0	2
5	1	1	ILE	HG21	H	1.013	0.001	1
6	1	1	ILE	HG22	H	1.013	0.001	1
7	1	1	ILE	HG23	H	1.013	0.001	1
8	1	1	ILE	CA	C	60.560		1
9	1	1	ILE	CB	C	39.177		1
10	1	1	ILE	CG1	C	27.411	0.0	1
11	1	1	ILE	CG2	C	16.739		1
12	1	2	ILE	H	H	8.047	0.001	1
13	1	2	ILE	HA	H	4.210	0.001	1
14	1	2	ILE	HB	H	1.983	0.0	1
15	1	2	ILE	HG12	H	1.277	0.0	2
16	1	2	ILE	HG13	H	1.586	0.0	2
17	1	2	ILE	HG21	H	1.014	0.002	1
18	1	2	ILE	HG22	H	1.014	0.002	1
19	1	2	ILE	HG23	H	1.014	0.002	1
20	1	2	ILE	CA	C	61.794		1
21	1	2	ILE	CB	C	38.604		1
22	1	2	ILE	CG1	C	27.298	0.006	1
23	1	2	ILE	CG2	C	17.830		1
24	1	3	ASN	H	H	8.492	0.001	1
25	1	3	ASN	HA	H	4.630	0.0	1
26	1	3	ASN	HB2	H	2.835	0.0	2
27	1	3	ASN	HB3	H	2.960	0.0	2
28	1	3	ASN	HD21	H	6.868	0.001	1
29	1	3	ASN	HD22	H	7.625	0.002	1
30	1	3	ASN	CA	C	54.915		1
31	1	3	ASN	CB	C	38.812	0.004	1
32	1	4	VAL	H	H	8.126	0.0	1
33	1	4	VAL	HA	H	3.957	0.001	1
34	1	4	VAL	HB	H	2.228	0.001	1
35	1	4	VAL	HG11	H	0.996	0.001	2
36	1	4	VAL	HG12	H	0.996	0.001	2
37	1	4	VAL	HG13	H	0.996	0.001	2
38	1	4	VAL	HG21	H	1.052	0.0	2
39	1	4	VAL	HG22	H	1.052	0.0	2
40	1	4	VAL	HG23	H	1.052	0.0	2
41	1	4	VAL	CA	C	63.514		1
42	1	4	VAL	CB	C	31.958		1
43	1	4	VAL	CG1	C	21.249		2
44	1	4	VAL	CG2	C	21.627		2
45	1	5	LEU	H	H	7.828	0.001	1
46	1	5	LEU	HA	H	4.181	0.001	1
47	1	5	LEU	HB2	H	1.699	0.0	2
48	1	5	LEU	HB3	H	1.873	0.0	2
49	1	5	LEU	HG	H	1.569	0.0	1
50	1	5	LEU	HD11	H	0.943	0.0	1
51	1	5	LEU	HD12	H	0.943	0.0	1
52	1	5	LEU	HD13	H	0.943	0.0	1
53	1	5	LEU	HD21	H	0.943	0.0	1
54	1	5	LEU	HD22	H	0.943	0.0	1
55	1	5	LEU	HD23	H	0.943	0.0	1
56	1	5	LEU	CA	C	56.340		1
57	1	5	LEU	CB	C	41.319	0.003	1
58	1	5	LEU	CG	C	27.080		1
59	1	5	LEU	CD1	C	25.113		1
60	1	5	LEU	CD2	C	25.113		1
61	1	6	THR	H	H	7.976	0.0	1
62	1	6	THR	HA	H	4.050	0.002	1
63	1	6	THR	HB	H	4.261	0.0	1
64	1	6	THR	HG21	H	1.282	0.002	1
65	1	6	THR	HG22	H	1.282	0.002	1
66	1	6	THR	HG23	H	1.282	0.002	1
67	1	6	THR	CA	C	65.563		1
68	1	6	THR	CB	C	68.788		1
69	1	6	THR	CG2	C	22.018		1
70	1	7	SER	H	H	8.004	0.001	1
71	1	7	SER	HA	H	4.422	0.001	1
72	1	7	SER	HB2	H	3.972	0.001	1
73	1	7	SER	HB3	H	3.972	0.0	1
74	1	7	SER	CA	C	61.166		1
75	1	7	SER	CB	C	64.795		1
76	1	8	ILE	H	H	7.526	0.0	1
77	1	8	ILE	HA	H	4.258	0.0	1
78	1	8	ILE	HB	H	2.050	0.0	1
79	1	8	ILE	HG12	H	1.315	0.001	1
80	1	8	ILE	HG13	H	1.315	0.001	1
81	1	8	ILE	HG21	H	0.940	0.0	1
82	1	8	ILE	HG22	H	0.940	0.0	1
83	1	8	ILE	HG23	H	0.940	0.0	1
84	1	8	ILE	CA	C	62.628		1
85	1	8	ILE	CB	C	39.183		1
86	1	8	ILE	CG1	C	27.215		1
87	1	8	ILE	CG2	C	17.740		1
88	1	9	VAL	H	H	7.838	0.0	1
89	1	9	VAL	HA	H	3.706	0.001	1
90	1	9	VAL	HB	H	2.232	0.001	1
91	1	9	VAL	HG11	H	1.020	0.001	2
92	1	9	VAL	HG12	H	1.020	0.001	2
93	1	9	VAL	HG13	H	1.020	0.001	2
94	1	9	VAL	HG21	H	1.099	0.0	2
95	1	9	VAL	HG22	H	1.099	0.0	2
96	1	9	VAL	HG23	H	1.099	0.0	2
97	1	9	VAL	CA	C	66.282		1
98	1	9	VAL	CB	C	31.828		1
99	1	9	VAL	CG1	C	21.833		2
100	1	9	VAL	CG2	C	22.611		2
101	1	10	THR	H	H	8.055	0.001	1
102	1	10	THR	HA	H	4.451	0.001	1
103	1	10	THR	HB	H	4.089	0.001	1
104	1	10	THR	HG21	H	1.251	0.001	1
105	1	10	THR	HG22	H	1.251	0.001	1
106	1	10	THR	HG23	H	1.251	0.001	1
107	1	10	THR	CA	C	66.028		1
108	1	10	THR	CB	C	68.905		1
109	1	10	THR	CG2	C	21.800		1
110	1	11	PRO	HA	H	4.453	0.001	1
111	1	11	PRO	HB2	H	1.799	0.002	2
112	1	11	PRO	HB3	H	2.445	0.0	2
113	1	11	PRO	HG2	H	2.042	0.001	2
114	1	11	PRO	HG3	H	2.232	0.0	2
115	1	11	PRO	HD2	H	3.499	0.001	2
116	1	11	PRO	HD3	H	3.754	0.003	2
117	1	11	PRO	CA	C	66.887		1
118	1	11	PRO	CB	C	31.251		1
119	1	11	PRO	CG	C	28.033		1
120	1	11	PRO	CD	C	49.945	0.011	1
121	1	12	ILE	H	H	7.209	0.005	1
122	1	12	ILE	HA	H	3.673	0.001	1
123	1	12	ILE	HB	H	2.082	0.0	1
124	1	12	ILE	HG12	H	1.303	0.0	1
125	1	12	ILE	HG13	H	1.303	0.0	1
126	1	12	ILE	HG21	H	0.895	0.007	1
127	1	12	ILE	HG22	H	0.895	0.007	1
128	1	12	ILE	HG23	H	0.895	0.007	1
129	1	12	ILE	CA	C	65.710		1
130	1	12	ILE	CB	C	39.119		1
131	1	12	ILE	CG1	C	27.170		1
132	1	12	ILE	CG2	C	17.333		1
133	1	13	LYS	H	H	8.646	0.001	1
134	1	13	LYS	HA	H	3.882	0.001	1
135	1	13	LYS	HB2	H	1.919	0.0	2
136	1	13	LYS	HB3	H	2.001	0.0	2
137	1	13	LYS	HG2	H	1.439	0.0	2
138	1	13	LYS	HG3	H	1.642	0.0	2
139	1	13	LYS	HD2	H	1.750	0.0	2
140	1	13	LYS	HD3	H	1.863	0.001	2
141	1	13	LYS	HE2	H	2.986	0.0	1
142	1	13	LYS	HE3	H	2.986	0.0	1
143	1	13	LYS	CA	C	60.263		1
144	1	13	LYS	CB	C	32.177	0.018	1
145	1	13	LYS	CG	C	25.663		1
146	1	13	LYS	CD	C	27.041	0.009	1
147	1	13	LYS	CE	C	42.115		1
148	1	14	ASN	H	H	8.470	0.0	1
149	1	14	ASN	HA	H	4.475	0.0	1
150	1	14	ASN	HB2	H	2.829	0.002	2
151	1	14	ASN	HB3	H	2.999	0.002	2
152	1	14	ASN	HD21	H	7.576	0.0	1
153	1	14	ASN	HD22	H	6.819	0.0	1
154	1	14	ASN	CA	C	55.760		1
155	1	14	ASN	CB	C	38.210	0.003	1
156	1	15	GLN	H	H	7.913	0.001	1
157	1	15	GLN	HA	H	4.199	0.001	1
158	1	15	GLN	HB2	H	2.200	0.001	2
159	1	15	GLN	HB3	H	2.275	0.0	2
160	1	15	GLN	HG2	H	2.723	0.001	2
161	1	15	GLN	HG3	H	2.215	0.0	2
162	1	15	GLN	CA	C	57.657		1
163	1	15	GLN	CB	C	27.947		1
164	1	15	GLN	CG	C	32.929	0.012	1
165	1	16	LEU	H	H	8.410	0.001	1
166	1	16	LEU	HA	H	4.160	0.001	1
167	1	16	LEU	HB2	H	1.757	0.0	2
168	1	16	LEU	HB3	H	1.861	0.0	2
169	1	16	LEU	HD11	H	0.921	0.0	1
170	1	16	LEU	HD12	H	0.921	0.0	1
171	1	16	LEU	HD13	H	0.921	0.0	1
172	1	16	LEU	HD21	H	0.921	0.0	1
173	1	16	LEU	HD22	H	0.921	0.0	1
174	1	16	LEU	HD23	H	0.921	0.0	1
175	1	16	LEU	CA	C	56.287		1
176	1	16	LEU	CB	C	41.550	0.001	1
177	1	16	LEU	CD1	C	25.309		1
178	1	16	LEU	CD2	C	25.309		1
179	1	17	ASP	H	H	8.302	0.0	1
180	1	17	ASP	HA	H	4.497	0.0	1
181	1	17	ASP	HB2	H	2.853	0.0	2
182	1	17	ASP	HB3	H	2.949	0.0	2
183	1	17	ASP	CA	C	55.850		1
184	1	17	ASP	CB	C	39.045	0.004	1
185	1	18	LYS	H	H	7.654	0.0	1
186	1	18	LYS	HA	H	4.049	0.0	1
187	1	18	LYS	HB2	H	1.815	0.001	1
188	1	18	LYS	HB3	H	1.815	0.001	1
189	1	18	LYS	HG2	H	1.250	0.0	2
190	1	18	LYS	HG3	H	1.445	0.0	2
191	1	18	LYS	HD2	H	1.651	0.0	1
192	1	18	LYS	HD3	H	1.651	0.0	1
193	1	18	LYS	HE2	H	2.926	0.0	1
194	1	18	LYS	HE3	H	2.926	0.0	1
195	1	18	LYS	CA	C	58.402		1
196	1	18	LYS	CB	C	32.494		1
197	1	18	LYS	CG	C	24.931		1
198	1	18	LYS	CD	C	29.427		1
199	1	18	LYS	CE	C	42.293		1
200	1	19	TYR	H	H	7.819	0.0	1
201	1	19	TYR	HA	H	4.441	0.002	1
202	1	19	TYR	HB2	H	3.002	0.0	2
203	1	19	TYR	HB3	H	3.220	0.001	2
204	1	19	TYR	HD1	H	7.191	0.003	1
205	1	19	TYR	HD2	H	7.191	0.003	1
206	1	19	TYR	HE1	H	6.836	0.0	1
207	1	19	TYR	HE2	H	6.836	0.0	1
208	1	19	TYR	CA	C	59.487		1
209	1	19	TYR	CB	C	39.092	0.004	1
210	1	19	TYR	CD1	C	133.192		1
211	1	19	TYR	CD2	C	133.192		1
212	1	19	TYR	CE1	C	118.157		1
213	1	19	TYR	CE2	C	118.157		1
214	1	20	GLN	H	H	8.047	0.001	1
215	1	20	GLN	HA	H	4.181	0.001	1
216	1	20	GLN	HB2	H	2.046	0.001	2
217	1	20	GLN	HB3	H	2.143	0.0	2
218	1	20	GLN	HG2	H	2.388	0.002	2
219	1	20	GLN	HG3	H	2.497	0.002	2
220	1	20	GLN	HE21	H	7.271	0.0	1
221	1	20	GLN	HE22	H	6.755	0.001	1
222	1	20	GLN	CA	C	57.950		1
223	1	20	GLN	CB	C	29.630		1
224	1	20	GLN	CG	C	34.230		1
225	1	21	NH2	HN1	H	6.963	0.0	1
226	1	21	NH2	HN2	H	7.021	0.001	1

Release date

2023-09-18

Citation

Homology modeling of Cry10Aa toxin from B. thuringiensis israelensis and B. thuringiensis subsp. LDC-9
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.
J. Biomol. Struct. Dyn. (2010), 28, 363-378, PubMed 20919752 , DOI 10.1080/07391102.2010.10507366 , Abstract

Related entities 1. Pesticidal crystal protein Cry10Aa peptide, : 1 : 1 : 3 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail