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BMRB: 31111

8ULM

Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C23, C15:C30, and C10:C28 disulfide bonds

Authors

Buchko, G.W., Zhou, M., Shah, D.M., Velivelli, S.L.S.

Assembly

Nodule cysteine-rich protein 13

Entity

1. Nodule cysteine-rich protein 13 (polymer, Thiol state: all disulfide bound), 33 monomers, 3731.524 Da Detail

ATKPCQSDKD CKKFACRKPK VPKCINGFCK CVR

Formula weight

3731.524 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS24:SG
2	disulfide	sing	1:CYS11:SG	1:CYS29:SG
3	disulfide	sing	1:CYS16:SG	1:CYS31:SG

Source organism

Cicer arietinum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 203, ¹³C: 87, ¹⁵N: 31 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	4.22	0.02	1
2	1	1	ALA	HB1	H	1.55	0.02	1
3	1	1	ALA	HB2	H	1.55	0.02	1
4	1	1	ALA	HB3	H	1.55	0.02	1
5	1	1	ALA	CA	C	51.7	0.2	1
6	1	1	ALA	CB	C	19.4	0.2	1
7	1	2	THR	H	H	8.69	0.02	1
8	1	2	THR	HA	H	4.60	0.02	1
9	1	2	THR	HB	H	4.15	0.02	1
10	1	2	THR	HG1	H	4.15	0.02	1
11	1	2	THR	HG21	H	1.18	0.02	1
12	1	2	THR	HG22	H	1.18	0.02	1
13	1	2	THR	HG23	H	1.18	0.02	1
14	1	2	THR	CA	C	63.8	0.2	1
15	1	2	THR	CB	C	69.6	0.2	1
16	1	2	THR	CG2	C	21.9	0.2	1
17	1	2	THR	N	N	115.0	0.2	1
18	1	3	LYS	H	H	9.21	0.02	1
19	1	3	LYS	HA	H	5.04	0.02	1
20	1	3	LYS	HB2	H	1.66	0.02	2
21	1	3	LYS	HB3	H	1.87	0.02	2
22	1	3	LYS	HE2	H	3.10	0.02	2
23	1	3	LYS	HE3	H	3.16	0.02	2
24	1	3	LYS	CA	C	52.9	0.2	1
25	1	3	LYS	CB	C	35.5	0.2	1
26	1	3	LYS	CE	C	42.4	0.2	1
27	1	3	LYS	N	N	126.1	0.2	1
28	1	4	PRO	HA	H	4.70	0.02	1
29	1	4	PRO	HB2	H	1.75	0.02	2
30	1	4	PRO	HB3	H	2.06	0.02	2
31	1	4	PRO	HG2	H	2.04	0.02	2
32	1	4	PRO	HG3	H	2.04	0.02	2
33	1	4	PRO	HD2	H	3.84	0.02	2
34	1	4	PRO	HD3	H	3.96	0.02	2
35	1	4	PRO	CA	C	56.9	0.2	1
36	1	4	PRO	CB	C	32.6	0.2	1
37	1	4	PRO	CG	C	27.1	0.2	1
38	1	4	PRO	CD	C	51.3	0.2	1
39	1	5	CYS	H	H	8.05	0.02	1
40	1	5	CYS	HA	H	4.70	0.02	1
41	1	5	CYS	HB2	H	2.94	0.02	2
42	1	5	CYS	HB3	H	3.17	0.02	2
43	1	5	CYS	CA	C	53.8	0.2	1
44	1	5	CYS	CB	C	47.4	0.2	1
45	1	5	CYS	N	N	114.4	0.2	1
46	1	6	GLN	H	H	9.34	0.02	1
47	1	6	GLN	HA	H	4.42	0.02	1
48	1	6	GLN	HB2	H	1.99	0.02	2
49	1	6	GLN	HB3	H	2.16	0.02	2
50	1	6	GLN	HG2	H	2.32	0.02	2
51	1	6	GLN	HG3	H	2.32	0.02	2
52	1	6	GLN	HE21	H	7.58	0.02	2
53	1	6	GLN	HE22	H	6.82	0.02	2
54	1	6	GLN	CA	C	55.9	0.2	1
55	1	6	GLN	CB	C	30.8	0.2	1
56	1	6	GLN	CG	C	34.2	0.2	1
57	1	6	GLN	N	N	117.4	0.2	1
58	1	6	GLN	NE2	N	112.2	0.2	1
59	1	7	SER	H	H	8.19	0.02	1
60	1	7	SER	HA	H	4.74	0.02	1
61	1	7	SER	HB2	H	3.89	0.02	2
62	1	7	SER	HB3	H	4.10	0.02	2
63	1	7	SER	CA	C	62.0	0.2	1
64	1	7	SER	CB	C	66.0	0.2	1
65	1	7	SER	N	N	113.7	0.2	1
66	1	8	ASP	H	H	9.23	0.02	1
67	1	8	ASP	HA	H	4.10	0.02	1
68	1	8	ASP	HB2	H	2.70	0.02	2
69	1	8	ASP	HB3	H	2.70	0.02	2
70	1	8	ASP	CA	C	58.6	0.2	1
71	1	8	ASP	CB	C	39.8	0.2	1
72	1	8	ASP	N	N	121.8	0.2	1
73	1	9	LYS	H	H	8.28	0.02	1
74	1	9	LYS	HA	H	4.07	0.02	1
75	1	9	LYS	HB2	H	1.83	0.02	2
76	1	9	LYS	HB3	H	1.83	0.02	2
77	1	9	LYS	HG2	H	1.46	0.02	2
78	1	9	LYS	HG3	H	1.46	0.02	2
79	1	9	LYS	HE2	H	2.83	0.02	2
80	1	9	LYS	HE3	H	2.83	0.02	2
81	1	9	LYS	CA	C	59.3	0.2	1
82	1	9	LYS	CB	C	31.5	0.2	1
83	1	9	LYS	CE	C	41.8	0.2	1
84	1	9	LYS	N	N	120.7	0.2	1
85	1	10	ASP	H	H	7.55	0.02	1
86	1	10	ASP	HA	H	4.58	0.02	1
87	1	10	ASP	HB2	H	2.97	0.02	2
88	1	10	ASP	HB3	H	2.97	0.02	2
89	1	10	ASP	CB	C	42.1	0.2	1
90	1	10	ASP	N	N	117.5	0.2	1
91	1	11	CYS	H	H	7.85	0.02	1
92	1	11	CYS	HA	H	4.88	0.02	1
93	1	11	CYS	HB2	H	2.43	0.02	2
94	1	11	CYS	HB3	H	3.24	0.02	2
95	1	11	CYS	CA	C	56.1	0.2	1
96	1	11	CYS	CB	C	38.8	0.2	1
97	1	11	CYS	N	N	114.5	0.2	1
98	1	12	LYS	H	H	7.16	0.02	1
99	1	12	LYS	HA	H	4.08	0.02	1
100	1	12	LYS	HB2	H	1.90	0.02	2
101	1	12	LYS	HB3	H	1.98	0.02	2
102	1	12	LYS	HG2	H	1.73	0.02	2
103	1	12	LYS	HG3	H	1.73	0.02	2
104	1	12	LYS	HE2	H	3.23	0.02	2
105	1	12	LYS	HE3	H	3.23	0.02	2
106	1	12	LYS	CA	C	59.5	0.2	1
107	1	12	LYS	CB	C	32.8	0.2	1
108	1	12	LYS	CG	C	27.0	0.2	1
109	1	12	LYS	CE	C	43.2	0.2	1
110	1	12	LYS	N	N	119.2	0.2	1
111	1	13	LYS	H	H	8.57	0.02	1
112	1	13	LYS	HA	H	4.43	0.02	1
113	1	13	LYS	HB2	H	1.68	0.02	2
114	1	13	LYS	HB3	H	2.10	0.02	2
115	1	13	LYS	HG2	H	1.41	0.02	2
116	1	13	LYS	HG3	H	1.41	0.02	2
117	1	13	LYS	HE2	H	3.02	0.02	2
118	1	13	LYS	HE3	H	3.02	0.02	2
119	1	13	LYS	CA	C	55.1	0.2	1
120	1	13	LYS	CB	C	31.4	0.2	1
121	1	13	LYS	CG	C	25.2	0.2	1
122	1	13	LYS	CE	C	41.6	0.2	1
123	1	13	LYS	N	N	115.7	0.2	1
124	1	14	PHE	H	H	7.83	0.02	1
125	1	14	PHE	HA	H	4.43	0.01	1
126	1	14	PHE	HB2	H	2.80	0.02	2
127	1	14	PHE	HB3	H	3.29	0.02	2
128	1	14	PHE	HD1	H	7.13	0.02	3
129	1	14	PHE	HD2	H	7.13	0.02	3
130	1	14	PHE	HE1	H	7.39	0.02	3
131	1	14	PHE	HE2	H	7.39	0.02	3
132	1	14	PHE	CA	C	58.4	0.2	1
133	1	14	PHE	CB	C	40.3	0.2	1
134	1	14	PHE	N	N	125.3	0.2	1
135	1	15	ALA	H	H	7.82	0.02	1
136	1	15	ALA	HA	H	4.33	0.02	1
137	1	15	ALA	HB1	H	1.17	0.02	1
138	1	15	ALA	HB2	H	1.17	0.02	1
139	1	15	ALA	HB3	H	1.17	0.02	1
140	1	15	ALA	CA	C	53.0	0.2	1
141	1	15	ALA	CB	C	18.8	0.2	1
142	1	15	ALA	N	N	129.7	0.2	1
143	1	16	CYS	H	H	8.17	0.02	1
144	1	16	CYS	HA	H	4.95	0.02	1
145	1	16	CYS	HB2	H	2.40	0.02	2
146	1	16	CYS	HB3	H	2.62	0.02	2
147	1	16	CYS	CA	C	52.1	0.2	1
148	1	16	CYS	CB	C	41.5	0.2	1
149	1	16	CYS	N	N	119.0	0.2	1
150	1	17	ARG	H	H	8.94	0.02	1
151	1	17	ARG	HA	H	4.43	0.02	1
152	1	17	ARG	HB2	H	1.73	0.02	2
153	1	17	ARG	HB3	H	1.80	0.02	2
154	1	17	ARG	HD2	H	3.24	0.02	2
155	1	17	ARG	HD3	H	3.24	0.02	2
156	1	17	ARG	CA	C	55.9	0.2	1
157	1	17	ARG	CB	C	30.2	0.2	1
158	1	17	ARG	CD	C	42.9	0.2	1
159	1	17	ARG	N	N	124.2	0.2	1
160	1	18	LYS	H	H	8.82	0.02	1
161	1	18	LYS	HA	H	4.43	0.02	1
162	1	18	LYS	HB2	H	1.70	0.02	2
163	1	18	LYS	HB3	H	1.81	0.02	2
164	1	18	LYS	CA	C	55.1	0.2	1
165	1	18	LYS	CB	C	31.2	0.2	1
166	1	18	LYS	N	N	128.1	0.2	1
167	1	19	PRO	HA	H	4.59	0.02	1
168	1	19	PRO	HB2	H	2.19	0.02	2
169	1	19	PRO	HB3	H	2.44	0.02	2
170	1	19	PRO	HG2	H	1.59	0.02	2
171	1	19	PRO	HG3	H	2.05	0.02	2
172	1	19	PRO	HD2	H	3.51	0.02	2
173	1	19	PRO	HD3	H	3.58	0.02	2
174	1	19	PRO	CA	C	61.4	0.2	1
175	1	19	PRO	CB	C	33.5	0.2	1
176	1	19	PRO	CG	C	24.4	0.2	1
177	1	19	PRO	CD	C	49.7	0.2	1
178	1	20	LYS	H	H	8.74	0.02	1
179	1	20	LYS	HA	H	4.40	0.02	1
180	1	20	LYS	HB2	H	1.53	0.02	2
181	1	20	LYS	HB3	H	1.95	0.02	2
182	1	20	LYS	HG2	H	1.03	0.02	2
183	1	20	LYS	HG3	H	1.53	0.02	2
184	1	20	LYS	CA	C	58.0	0.2	1
185	1	20	LYS	CB	C	34.0	0.2	1
186	1	20	LYS	CG	C	27.1	0.2	1
187	1	20	LYS	N	N	125.0	0.2	1
188	1	21	VAL	H	H	9.06	0.02	1
189	1	21	VAL	HA	H	4.78	0.02	1
190	1	21	VAL	HB	H	2.19	0.02	1
191	1	21	VAL	HG11	H	0.92	0.02	2
192	1	21	VAL	HG12	H	0.92	0.02	2
193	1	21	VAL	HG13	H	0.92	0.02	2
194	1	21	VAL	HG21	H	0.85	0.02	2
195	1	21	VAL	HG22	H	0.85	0.02	2
196	1	21	VAL	HG23	H	0.85	0.02	2
197	1	21	VAL	CA	C	57.7	0.2	1
198	1	21	VAL	CB	C	34.1	0.2	1
199	1	21	VAL	CG1	C	21.6	0.2	2
200	1	21	VAL	CG2	C	18.5	0.2	2
201	1	21	VAL	N	N	113.1	0.2	1
202	1	22	PRO	HA	H	5.15	0.02	1
203	1	22	PRO	HB2	H	2.30	0.02	2
204	1	22	PRO	HB3	H	2.41	0.02	2
205	1	22	PRO	HG2	H	1.59	0.02	2
206	1	22	PRO	HG3	H	2.02	0.02	2
207	1	22	PRO	HD2	H	3.67	0.02	2
208	1	22	PRO	HD3	H	3.79	0.02	2
209	1	22	PRO	CA	C	61.9	0.2	1
210	1	22	PRO	CB	C	28.1	0.2	1
211	1	22	PRO	CG	C	24.4	0.2	1
212	1	22	PRO	CD	C	50.5	0.2	1
213	1	23	LYS	H	H	9.19	0.02	1
214	1	23	LYS	HA	H	4.35	0.02	1
215	1	23	LYS	HB2	H	1.48	0.02	2
216	1	23	LYS	HB3	H	1.75	0.02	2
217	1	23	LYS	HG2	H	1.28	0.02	2
218	1	23	LYS	HG3	H	1.34	0.02	2
219	1	23	LYS	HE2	H	2.77	0.02	2
220	1	23	LYS	HE3	H	2.77	0.02	2
221	1	23	LYS	CA	C	54.3	0.2	1
222	1	23	LYS	CB	C	37.8	0.2	1
223	1	23	LYS	CG	C	25.8	0.2	1
224	1	23	LYS	N	N	122.6	0.2	1
225	1	24	CYS	H	H	9.19	0.02	1
226	1	24	CYS	HA	H	4.65	0.02	1
227	1	24	CYS	HB2	H	2.50	0.02	2
228	1	24	CYS	HB3	H	2.77	0.02	2
229	1	24	CYS	CA	C	55.1	0.2	1
230	1	24	CYS	CB	C	39.1	0.2	1
231	1	24	CYS	N	N	120.2	0.2	1
232	1	25	ILE	H	H	8.74	0.02	1
233	1	25	ILE	HA	H	4.41	0.02	1
234	1	25	ILE	HB	H	1.90	0.02	1
235	1	25	ILE	HG12	H	1.27	0.02	2
236	1	25	ILE	HG13	H	1.27	0.02	2
237	1	25	ILE	HG21	H	0.88	0.02	1
238	1	25	ILE	HG22	H	0.88	0.02	1
239	1	25	ILE	HG23	H	0.88	0.02	1
240	1	25	ILE	HD11	H	0.77	0.02	1
241	1	25	ILE	HD12	H	0.77	0.02	1
242	1	25	ILE	HD13	H	0.77	0.02	1
243	1	25	ILE	CA	C	58.4	0.2	1
244	1	25	ILE	CB	C	38.0	0.2	1
245	1	25	ILE	CG1	C	26.5	0.2	1
246	1	25	ILE	CG2	C	16.7	0.2	1
247	1	25	ILE	CD1	C	10.9	0.2	1
248	1	25	ILE	N	N	131.8	0.2	1
249	1	26	ASN	H	H	9.38	0.02	1
250	1	26	ASN	HA	H	4.39	0.02	1
251	1	26	ASN	HB2	H	2.84	0.02	2
252	1	26	ASN	HB3	H	3.16	0.02	2
253	1	26	ASN	HD21	H	7.66	0.02	2
254	1	26	ASN	HD22	H	6.96	0.02	2
255	1	26	ASN	CA	C	54.3	0.2	1
256	1	26	ASN	CB	C	37.5	0.2	1
257	1	26	ASN	N	N	126.2	0.2	1
258	1	26	ASN	ND2	N	112.2	0.2	1
259	1	27	GLY	H	H	8.00	0.02	1
260	1	27	GLY	HA2	H	3.66	0.02	2
261	1	27	GLY	HA3	H	3.88	0.02	2
262	1	27	GLY	CA	C	45.3	0.2	1
263	1	27	GLY	N	N	101.5	0.2	1
264	1	28	PHE	H	H	7.68	0.02	1
265	1	28	PHE	HA	H	5.11	0.02	1
266	1	28	PHE	HB2	H	2.61	0.02	2
267	1	28	PHE	HB3	H	3.16	0.02	2
268	1	28	PHE	HD1	H	7.14	0.02	3
269	1	28	PHE	HD2	H	7.14	0.02	3
270	1	28	PHE	HE1	H	7.33	0.02	3
271	1	28	PHE	HE2	H	7.33	0.02	3
272	1	28	PHE	CA	C	57.4	0.2	1
273	1	28	PHE	CB	C	43.1	0.2	1
274	1	28	PHE	N	N	118.0	0.2	1
275	1	29	CYS	H	H	8.63	0.02	1
276	1	29	CYS	HA	H	4.87	0.02	1
277	1	29	CYS	HB2	H	1.49	0.02	2
278	1	29	CYS	HB3	H	1.69	0.02	2
279	1	29	CYS	CA	C	57.7	0.2	1
280	1	29	CYS	CB	C	37.2	0.2	1
281	1	29	CYS	N	N	119.6	0.2	1
282	1	30	LYS	H	H	9.42	0.02	1
283	1	30	LYS	HA	H	4.55	0.02	1
284	1	30	LYS	HB2	H	1.72	0.02	2
285	1	30	LYS	HB3	H	1.72	0.02	2
286	1	30	LYS	HG2	H	1.28	0.02	2
287	1	30	LYS	HG3	H	1.49	0.02	2
288	1	30	LYS	CB	C	37.2	0.2	1
289	1	30	LYS	N	N	123.4	0.2	1
290	1	31	CYS	H	H	8.91	0.02	1
291	1	31	CYS	HA	H	5.24	0.02	1
292	1	31	CYS	HB2	H	2.74	0.02	2
293	1	31	CYS	HB3	H	2.96	0.02	2
294	1	31	CYS	CA	C	54.5	0.2	1
295	1	31	CYS	CB	C	39.5	0.2	1
296	1	31	CYS	N	N	122.3	0.2	1
297	1	32	VAL	H	H	9.47	0.02	1
298	1	32	VAL	HA	H	4.73	0.02	1
299	1	32	VAL	HB	H	2.29	0.02	1
300	1	32	VAL	HG11	H	0.88	0.02	2
301	1	32	VAL	HG12	H	0.88	0.02	2
302	1	32	VAL	HG13	H	0.88	0.02	2
303	1	32	VAL	HG21	H	0.88	0.02	2
304	1	32	VAL	HG22	H	0.88	0.02	2
305	1	32	VAL	HG23	H	0.88	0.02	2
306	1	32	VAL	CA	C	59.9	0.2	1
307	1	32	VAL	CB	C	36.0	0.2	1
308	1	32	VAL	CG1	C	21.9	0.2	2
309	1	32	VAL	CG2	C	19.3	0.2	2
310	1	32	VAL	N	N	121.8	0.2	1
311	1	33	ARG	H	H	8.15	0.02	1
312	1	33	ARG	HA	H	4.25	0.02	1
313	1	33	ARG	HB2	H	1.70	0.02	2
314	1	33	ARG	HB3	H	1.81	0.02	2
315	1	33	ARG	HG2	H	1.62	0.02	2
316	1	33	ARG	HG3	H	1.69	0.02	2
317	1	33	ARG	HD2	H	3.24	0.02	2
318	1	33	ARG	HD3	H	3.24	0.02	2
319	1	33	ARG	CA	C	57.8	0.2	1
320	1	33	ARG	CG	C	27.9	0.2	1
321	1	33	ARG	N	N	124.7	0.2	1

Release date

2023-10-23

Citation

Solution NMR structures of the Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13 in two different disulfide bonding patterns
Buchko, G.W., Zhou, M., Velivelli, S.L.S., Shah, D.M.

Related entities 1. Nodule cysteine-rich protein 13, : 1 : 1 : 17 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 5.3 (±0.1), Details 20 mM sodium acetate, 50 mM sodium chloride, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	sodium acetate	natural abundance		20 (±1.0) mM
2	sodium chloride	natural abundance		50 (±1.0) mM

2 2D 1H-13C HSQC aliphatic