BMRBj - BMREntryMaster

Found 1 Document (0.483 seconds)

BMRB: 31015

7UV3

Pis v 3.0101 Vicilin Leader Sequence Residues 5-52

Authors

Mueller, G.A., Foo, A.C.Y., DeRose, E.F.

Assembly

Vicilin Pis v 3.0101

Entity

1. Vicilin Pis v 3.0101 (polymer, Thiol state: all disulfide bound), 48 monomers, 5835.447 Da Detail

GKTDPELKQC KHQCKVQRQY DEEQKEQCAK GCEKYYKEKK GREQEELE

Formula weight

5835.447 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS10:SG	1:CYS32:SG
2	disulfide	sing	1:CYS14:SG	1:CYS28:SG

Source organism

Pistacia vera

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 174, ¹³C: 124, ¹⁵N: 35 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	1	GLY	H	H	8.2933	1
2	1	1	GLY	HA2	H	3.9620	2
3	1	1	GLY	C	C	177.7573	1
4	1	1	GLY	CA	C	45.8000	1
5	1	1	GLY	N	N	109.1532	1
6	1	2	LYS	CA	C	57.0000	1
7	1	2	LYS	CB	C	32.7000	1
8	1	3	THR	CA	C	61.9149	1
9	1	3	THR	CB	C	69.9872	1
10	1	5	PRO	HA	H	4.1970	1
11	1	5	PRO	HB2	H	2.3240	2
12	1	5	PRO	HG2	H	2.3240	2
13	1	5	PRO	CA	C	58.8540	1
14	1	5	PRO	CB	C	35.6690	1
15	1	5	PRO	CG	C	28.9770	1
16	1	6	GLU	H	H	8.3987	1
17	1	6	GLU	HA	H	4.0010	1
18	1	6	GLU	HB2	H	1.9900	2
19	1	6	GLU	HB3	H	1.8220	2
20	1	6	GLU	HG2	H	2.2670	2
21	1	6	GLU	HG3	H	2.3122	2
22	1	6	GLU	CA	C	59.3272	1
23	1	6	GLU	CB	C	29.2295	1
24	1	6	GLU	CG	C	37.0090	1
25	1	6	GLU	N	N	119.5793	1
26	1	7	LEU	H	H	7.7386	1
27	1	7	LEU	HA	H	3.8570	1
28	1	7	LEU	HB2	H	1.8210	2
29	1	7	LEU	HB3	H	1.2213	2
30	1	7	LEU	HG	H	1.5079	1
31	1	7	LEU	HD11	H	0.9280	2
32	1	7	LEU	HD12	H	0.9280	2
33	1	7	LEU	HD13	H	0.9280	2
34	1	7	LEU	HD21	H	0.9140	2
35	1	7	LEU	HD22	H	0.9140	2
36	1	7	LEU	HD23	H	0.9140	2
37	1	7	LEU	CA	C	58.0810	1
38	1	7	LEU	CB	C	41.3659	1
39	1	7	LEU	CG	C	25.1081	1
40	1	7	LEU	CD1	C	24.0800	2
41	1	7	LEU	CD2	C	25.6960	2
42	1	7	LEU	N	N	122.9636	1
43	1	8	LYS	H	H	7.8699	1
44	1	8	LYS	HA	H	3.8810	1
45	1	8	LYS	HB2	H	1.8230	2
46	1	8	LYS	HB3	H	2.2636	2
47	1	8	LYS	HG2	H	1.3640	2
48	1	8	LYS	HD2	H	1.5780	2
49	1	8	LYS	HE2	H	2.9780	2
50	1	8	LYS	CA	C	59.7207	1
51	1	8	LYS	CB	C	32.5555	1
52	1	8	LYS	CG	C	24.8950	1
53	1	8	LYS	CD	C	29.4730	1
54	1	8	LYS	CE	C	41.8660	1
55	1	8	LYS	N	N	118.6831	1
56	1	9	GLN	H	H	7.9815	1
57	1	9	GLN	HA	H	4.1690	1
58	1	9	GLN	CA	C	58.6980	1
59	1	9	GLN	CB	C	28.2041	1
60	1	9	GLN	CG	C	33.3380	1
61	1	9	GLN	N	N	119.3905	1
62	1	10	CYS	H	H	8.1523	1
63	1	10	CYS	HA	H	4.3220	1
64	1	10	CYS	HB2	H	3.2450	2
65	1	10	CYS	HB3	H	3.5080	2
66	1	10	CYS	CA	C	60.5450	1
67	1	10	CYS	CB	C	37.1004	1
68	1	10	CYS	N	N	120.9312	1
69	1	11	LYS	H	H	8.3565	1
70	1	11	LYS	HA	H	4.0000	1
71	1	11	LYS	HG2	H	1.9700	2
72	1	11	LYS	CA	C	61.1758	1
73	1	11	LYS	CB	C	32.3531	1
74	1	11	LYS	CD	C	29.8750	1
75	1	11	LYS	CE	C	41.8700	1
76	1	11	LYS	N	N	118.4802	1
77	1	12	HIS	H	H	8.3364	1
78	1	12	HIS	HA	H	4.2200	1
79	1	12	HIS	HB2	H	3.1700	2
80	1	12	HIS	HB3	H	3.2930	2
81	1	12	HIS	HD2	H	7.1350	1
82	1	12	HIS	HE1	H	8.1590	1
83	1	12	HIS	CA	C	60.3321	1
84	1	12	HIS	CB	C	30.3400	1
85	1	12	HIS	CD2	C	120.0520	1
86	1	12	HIS	CE1	C	137.6570	1
87	1	12	HIS	N	N	121.1102	1
88	1	13	GLN	H	H	8.2510	1
89	1	13	GLN	HA	H	3.9520	1
90	1	13	GLN	HB2	H	2.0680	2
91	1	13	GLN	HG2	H	2.5300	2
92	1	13	GLN	HG3	H	2.1030	2
93	1	13	GLN	CA	C	58.5387	1
94	1	13	GLN	CB	C	27.9169	1
95	1	13	GLN	CG	C	34.1170	1
96	1	13	GLN	N	N	116.7400	1
97	1	14	CYS	H	H	7.7624	1
98	1	14	CYS	HA	H	4.4820	1
99	1	14	CYS	HB2	H	3.3900	2
100	1	14	CYS	HB3	H	3.2245	2
101	1	14	CYS	CA	C	57.4147	1
102	1	14	CYS	CB	C	37.1530	1
103	1	14	CYS	N	N	116.2651	1
104	1	15	LYS	H	H	7.4734	1
105	1	15	LYS	HA	H	3.9990	1
106	1	15	LYS	HB2	H	1.9500	2
107	1	15	LYS	CA	C	58.6941	1
108	1	15	LYS	CB	C	32.6805	1
109	1	15	LYS	N	N	116.0675	1
110	1	16	VAL	HA	H	4.2530	1
111	1	16	VAL	HB	H	2.3245	1
112	1	16	VAL	HG11	H	0.7840	2
113	1	16	VAL	HG12	H	0.7840	2
114	1	16	VAL	HG13	H	0.7840	2
115	1	16	VAL	HG21	H	0.7327	2
116	1	16	VAL	HG22	H	0.7327	2
117	1	16	VAL	HG23	H	0.7327	2
118	1	16	VAL	CA	C	61.4547	1
119	1	16	VAL	CB	C	31.4315	1
120	1	16	VAL	CG1	C	18.4300	2
121	1	16	VAL	CG2	C	20.5520	2
122	1	16	VAL	N	N	110.3300	1
123	1	17	GLN	H	H	7.0177	1
124	1	17	GLN	HA	H	4.0718	1
125	1	17	GLN	HB2	H	1.7932	2
126	1	17	GLN	HG2	H	2.2646	2
127	1	17	GLN	CA	C	55.8848	1
128	1	17	GLN	CB	C	27.8191	1
129	1	17	GLN	CG	C	32.8538	1
130	1	17	GLN	N	N	121.7048	1
131	1	18	ARG	H	H	8.3600	1
132	1	18	ARG	HA	H	4.0791	1
133	1	18	ARG	HB2	H	1.7514	2
134	1	18	ARG	HB3	H	1.7989	2
135	1	18	ARG	CA	C	55.9060	1
136	1	18	ARG	CB	C	30.2960	1
137	1	18	ARG	N	N	125.8832	1
138	1	19	GLN	HA	H	4.2820	1
139	1	19	GLN	HB2	H	2.30405	2
140	1	19	GLN	HG2	H	2.2310	2
141	1	19	GLN	CA	C	56.3677	1
142	1	19	GLN	CB	C	28.1456	1
143	1	19	GLN	CG	C	33.5720	1
144	1	20	TYR	H	H	7.2209	1
145	1	20	TYR	HA	H	5.1100	1
146	1	20	TYR	HB2	H	3.0600	2
147	1	20	TYR	HB3	H	3.3010	2
148	1	20	TYR	HD1	H	6.9770	3
149	1	20	TYR	HE1	H	6.7910	3
150	1	20	TYR	CA	C	53.8361	1
151	1	20	TYR	CB	C	39.4828	1
152	1	20	TYR	CD1	C	131.0350	2
153	1	20	TYR	CE1	C	118.2020	2
154	1	20	TYR	N	N	119.5240	1
155	1	21	ASP	H	H	8.5572	1
156	1	21	ASP	HA	H	4.7540	1
157	1	21	ASP	HB2	H	2.7850	2
158	1	21	ASP	HB3	H	3.2020	2
159	1	21	ASP	CA	C	52.4222	1
160	1	21	ASP	CB	C	40.8149	1
161	1	21	ASP	N	N	121.9988	1
162	1	22	GLU	H	H	8.4934	1
163	1	22	GLU	HA	H	3.9310	1
164	1	22	GLU	HB2	H	2.0910	2
165	1	22	GLU	HG2	H	2.4020	2
166	1	22	GLU	CA	C	60.3053	1
167	1	22	GLU	CB	C	29.3632	1
168	1	22	GLU	CG	C	36.1850	1
169	1	22	GLU	N	N	117.5237	1
170	1	23	GLU	H	H	8.1865	1
171	1	23	GLU	HA	H	4.1070	1
172	1	23	GLU	HB2	H	2.0290	2
173	1	23	GLU	HG2	H	2.2500	2
174	1	23	GLU	CA	C	59.5726	1
175	1	23	GLU	CB	C	29.1913	1
176	1	23	GLU	CG	C	36.2800	1
177	1	23	GLU	N	N	120.7923	1
178	1	24	GLN	H	H	8.7702	1
179	1	24	GLN	HA	H	3.8310	1
180	1	24	GLN	HB2	H	2.0960	2
181	1	24	GLN	HG2	H	2.5230	2
182	1	24	GLN	CA	C	58.7042	1
183	1	24	GLN	CB	C	28.1765	1
184	1	24	GLN	CG	C	34.3920	1
185	1	24	GLN	N	N	120.7005	1
186	1	25	LYS	H	H	8.6379	1
187	1	25	LYS	HA	H	3.8520	1
188	1	25	LYS	HB2	H	1.7770	2
189	1	25	LYS	HG2	H	1.6850	2
190	1	25	LYS	HD2	H	1.6850	2
191	1	25	LYS	HE2	H	2.9920	2
192	1	25	LYS	CA	C	61.4770	1
193	1	25	LYS	CB	C	33.0976	1
194	1	25	LYS	CG	C	26.0600	1
195	1	25	LYS	CD	C	30.3150	1
196	1	25	LYS	CE	C	42.4210	1
197	1	25	LYS	N	N	121.3590	1
198	1	26	GLU	H	H	7.9235	1
199	1	26	GLU	HA	H	4.1970	1
200	1	26	GLU	HB2	H	2.2350	2
201	1	26	GLU	HG2	H	2.3240	2
202	1	26	GLU	CA	C	59.1739	1
203	1	26	GLU	CB	C	29.2196	1
204	1	26	GLU	CG	C	35.6690	1
205	1	26	GLU	N	N	121.6521	1
206	1	27	GLN	H	H	8.3890	1
207	1	27	GLN	HA	H	3.9850	1
208	1	27	GLN	HB2	H	2.0350	2
209	1	27	GLN	HG2	H	2.4390	2
210	1	27	GLN	CA	C	58.8200	1
211	1	27	GLN	CB	C	28.1058	1
212	1	27	GLN	CG	C	33.4100	1
213	1	27	GLN	N	N	119.6627	1
214	1	28	CYS	H	H	8.2490	1
215	1	28	CYS	HA	H	4.2870	1
216	1	28	CYS	HB2	H	3.5630	2
217	1	28	CYS	HB3	H	2.9330	2
218	1	28	CYS	CA	C	59.5016	1
219	1	28	CYS	CB	C	33.8351	1
220	1	28	CYS	N	N	121.3182	1
221	1	29	ALA	H	H	8.2374	1
222	1	29	ALA	HA	H	3.8630	1
223	1	29	ALA	HB1	H	1.5600	1
224	1	29	ALA	HB2	H	1.5600	1
225	1	29	ALA	HB3	H	1.5600	1
226	1	29	ALA	CA	C	56.2870	1
227	1	29	ALA	CB	C	18.1263	1
228	1	29	ALA	N	N	125.2466	1
229	1	30	LYS	H	H	8.3063	1
230	1	30	LYS	HA	H	4.0580	1
231	1	30	LYS	HB2	H	1.9370	2
232	1	30	LYS	HG2	H	1.6390	2
233	1	30	LYS	HE2	H	2.9460	2
234	1	30	LYS	CA	C	59.3028	1
235	1	30	LYS	CB	C	32.1396	1
236	1	30	LYS	CG	C	25.2070	1
237	1	30	LYS	CE	C	41.9420	1
238	1	30	LYS	N	N	119.1859	1
239	1	31	GLY	H	H	8.3266	1
240	1	31	GLY	HA2	H	3.9285	2
241	1	31	GLY	HA3	H	4.0180	2
242	1	31	GLY	CA	C	47.3635	1
243	1	31	GLY	N	N	110.0609	1
244	1	32	CYS	H	H	8.1128	1
245	1	32	CYS	HA	H	4.5570	1
246	1	32	CYS	HB2	H	3.5725	2
247	1	32	CYS	HB3	H	3.0530	2
248	1	32	CYS	CA	C	58.3233	1
249	1	32	CYS	CB	C	39.4128	1
250	1	32	CYS	N	N	120.7204	1
251	1	33	GLU	H	H	7.7800	1
252	1	33	GLU	HA	H	4.0480	1
253	1	33	GLU	HB2	H	2.2610	2
254	1	33	GLU	HG2	H	2.5450	2
255	1	33	GLU	HG3	H	2.2848	2
256	1	33	GLU	CA	C	59.4296	1
257	1	33	GLU	CB	C	29.4235	1
258	1	33	GLU	CG	C	36.4650	1
259	1	33	GLU	N	N	118.4491	1
260	1	34	LYS	H	H	8.0016	1
261	1	34	LYS	HA	H	4.0680	1
262	1	34	LYS	HB2	H	1.8970	2
263	1	34	LYS	HG2	H	1.3980	2
264	1	34	LYS	HD2	H	1.6720	2
265	1	34	LYS	HE2	H	2.9700	2
266	1	34	LYS	CA	C	59.2898	1
267	1	34	LYS	CB	C	32.8078	1
268	1	34	LYS	CG	C	24.6590	1
269	1	34	LYS	CD	C	29.2880	1
270	1	34	LYS	CE	C	41.8940	1
271	1	34	LYS	N	N	119.5794	1
272	1	35	TYR	H	H	8.1132	1
273	1	35	TYR	HA	H	4.2410	1
274	1	35	TYR	HB2	H	2.9730	2
275	1	35	TYR	HD1	H	6.5870	3
276	1	35	TYR	HD2	H	7.4280	3
277	1	35	TYR	HE1	H	6.8910	3
278	1	35	TYR	CA	C	60.7752	1
279	1	35	TYR	CB	C	38.4680	1
280	1	35	TYR	CD1	C	133.1900	2
281	1	35	TYR	CD2	C	133.5500	2
282	1	35	TYR	CE1	C	118.4300	2
283	1	35	TYR	N	N	118.7938	1
284	1	36	TYR	H	H	8.0254	1
285	1	36	TYR	HA	H	4.1380	1
286	1	36	TYR	HB2	H	2.9860	2
287	1	36	TYR	HB3	H	2.9580	2
288	1	36	TYR	HD1	H	7.1130	3
289	1	36	TYR	HE1	H	6.6500	3
290	1	36	TYR	CA	C	61.4083	1
291	1	36	TYR	CB	C	38.3307	1
292	1	36	TYR	CD1	C	133.3350	2
293	1	36	TYR	CE1	C	118.0100	2
294	1	36	TYR	N	N	116.4465	1
295	1	37	LYS	H	H	7.9910	1
296	1	37	LYS	HA	H	4.1490	1
297	1	37	LYS	HB2	H	1.9390	2
298	1	37	LYS	HG2	H	1.4780	2
299	1	37	LYS	HD2	H	1.6590	2
300	1	37	LYS	HE2	H	2.9840	2
301	1	37	LYS	CA	C	58.4066	1
302	1	37	LYS	CB	C	32.8095	1
303	1	37	LYS	CG	C	24.9130	1
304	1	37	LYS	CD	C	29.3320	1
305	1	37	LYS	CE	C	41.9600	1
306	1	37	LYS	N	N	121.0911	1
307	1	38	GLU	H	H	8.0715	1
308	1	38	GLU	HA	H	4.1480	1
309	1	38	GLU	HB2	H	2.0240	2
310	1	38	GLU	HG2	H	2.3010	2
311	1	38	GLU	HG3	H	2.2350	2
312	1	38	GLU	CA	C	57.7061	1
313	1	38	GLU	CB	C	29.8083	1
314	1	38	GLU	CG	C	36.2980	1
315	1	38	GLU	N	N	119.9021	1
316	1	39	LYS	H	H	7.9771	1
317	1	39	LYS	HA	H	4.2087	1
318	1	39	LYS	HB2	H	1.9477	2
319	1	39	LYS	CA	C	57.5411	1
320	1	39	LYS	CB	C	32.8041	1
321	1	39	LYS	N	N	121.2477	1
322	1	41	GLY	HA2	H	3.9837	2
323	1	41	GLY	CA	C	45.3981	1
324	1	47	LEU	HA	H	4.3590	1
325	1	47	LEU	HB2	H	1.8170	2
326	1	47	LEU	HB3	H	1.2256	2
327	1	47	LEU	C	C	174.7600	1
328	1	47	LEU	CA	C	56.2000	1
329	1	47	LEU	CB	C	43.1370	1
330	1	48	GLU	H	H	8.0613	1
331	1	48	GLU	CA	C	56.2000	1
332	1	48	GLU	CB	C	29.9000	1
333	1	48	GLU	N	N	127.3883	1

Release date

2022-05-03

Citation

Pis v 3 Vicilin Leader Sequence Residues 5-52
Mueller, G.A., Foo, A.C.Y., DeRose, E.F.

Related entities 1. Vicilin Pis v 3.0101, : 1 : 5 entities Detail

Experiments performed 11 experiments Detail

1 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

2 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

3 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

4 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

5 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

6 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

7 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

8 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

9 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

10 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 20 mg/mL Pf1 phage, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
3	entity_1		0.0 ~ 0.0 uM
4	DSS	natural abundance	50 uM
5	Pf1 phage	natural abundance	20 mg/mL

11 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4, Details 50 uM DSS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 uM
2	DSS	natural abundance		50 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31015_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:10:CYS:SG	1:32:CYS:SG	oxidized, CA 60.545, CB 37.1004 ppm	oxidized, CA 58.3233, CB 39.4128 ppm	n/a
1:14:CYS:SG	1:28:CYS:SG	oxidized, CA 57.4147, CB 37.153 ppm	oxidized, CA 59.5016, CB 33.8351 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr31015_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	333		85.4 (chain: 1, length: 48)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 48, Sequence coverage: 85.4%
- Total number of assignments
  - ¹H chemical shifts: 174
  - ¹³C chemical shifts: 124
  - ¹⁵N chemical shifts: 35
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	330	164	49.7
¹³C chemical shifts	217	124	57.1
¹⁵N chemical shifts	56	35	62.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	98	73	74.5
¹³C chemical shifts	96	43	44.8
¹⁵N chemical shifts	47	35	74.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	232	91	39.2
¹³C chemical shifts	121	81	66.9
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	8	5	62.5
¹³C chemical shifts	8	5	62.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	14	9	64.3
¹³C chemical shifts	14	9	64.3

Keywords ALLERGEN, Seed storage

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.483 seconds)

BMRB: 31015

Related entities 1. Vicilin Pis v 3.0101, : 1 : 5 entities Detail

Experiments performed 11 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail