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BMRB: 34667

7PQW

NMR solution structure of BCR4

Authors

Loth, K., Paquet, F.

Assembly

BCR4

Entity

1. BCR4 (polymer, Thiol state: all disulfide bound), 50 monomers, 5900.602 Da Detail

DFDPTEFKGP FPTIEICSKY CAVVCNYTSR PCYCVEAAKE RDQWFPYCYD

Formula weight

5900.602 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS17:SG	1:CYS34:SG
2	disulfide	sing	1:CYS21:SG	1:CYS32:SG
3	disulfide	sing	1:CYS25:SG	1:CYS48:SG

Source organism

Apis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 334, ¹³C: 142, ¹⁵N: 32 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val
1	1	1	ASP	HA	H	4.196
2	1	1	ASP	HB2	H	2.627
3	1	1	ASP	HB3	H	2.779
4	1	1	ASP	CA	C	53.461
5	1	1	ASP	CB	C	39.871
6	1	2	PHE	H	H	8.591
7	1	2	PHE	HA	H	4.520
8	1	2	PHE	HB2	H	2.875
9	1	2	PHE	HB3	H	2.875
10	1	2	PHE	HD1	H	7.176
11	1	2	PHE	HD2	H	7.176
12	1	2	PHE	HE1	H	7.086
13	1	2	PHE	HE2	H	7.086
14	1	2	PHE	HZ	H	7.241
15	1	2	PHE	CB	C	39.911
16	1	2	PHE	CD1	C	131.195
17	1	2	PHE	CD2	C	131.195
18	1	2	PHE	N	N	120.134
19	1	3	ASP	H	H	8.367
20	1	3	ASP	HA	H	4.920
21	1	3	ASP	HB2	H	2.799
22	1	3	ASP	HB3	H	2.531
23	1	3	ASP	CB	C	41.646
24	1	3	ASP	N	N	124.984
25	1	4	PRO	HA	H	4.434
26	1	4	PRO	HB2	H	2.032
27	1	4	PRO	HB3	H	2.228
28	1	4	PRO	HG2	H	1.995
29	1	4	PRO	HG3	H	2.020
30	1	4	PRO	HD2	H	3.671
31	1	4	PRO	HD3	H	3.901
32	1	4	PRO	CA	C	63.928
33	1	4	PRO	CB	C	32.394
34	1	4	PRO	CG	C	26.983
35	1	4	PRO	CD	C	50.976
36	1	5	THR	H	H	8.254
37	1	5	THR	HA	H	4.188
38	1	5	THR	HB	H	4.225
39	1	5	THR	HG21	H	1.224
40	1	5	THR	HG22	H	1.224
41	1	5	THR	HG23	H	1.224
42	1	5	THR	CA	C	63.508
43	1	5	THR	CB	C	69.250
44	1	5	THR	CG2	C	21.822
45	1	5	THR	N	N	111.725
46	1	6	GLU	H	H	7.719
47	1	6	GLU	HA	H	4.311
48	1	6	GLU	HB2	H	2.038
49	1	6	GLU	HB3	H	1.875
50	1	6	GLU	HG2	H	2.160
51	1	6	GLU	HG3	H	2.250
52	1	6	GLU	CA	C	56.295
53	1	6	GLU	CB	C	30.554
54	1	6	GLU	CG	C	35.140
55	1	6	GLU	N	N	120.806
56	1	7	PHE	H	H	8.016
57	1	7	PHE	HA	H	4.539
58	1	7	PHE	HB2	H	2.978
59	1	7	PHE	HB3	H	2.978
60	1	7	PHE	HD1	H	7.019
61	1	7	PHE	HD2	H	7.019
62	1	7	PHE	HE1	H	6.823
63	1	7	PHE	HE2	H	6.823
64	1	7	PHE	HZ	H	6.891
65	1	7	PHE	CB	C	39.938
66	1	7	PHE	CD1	C	131.694
67	1	7	PHE	CD2	C	131.694
68	1	7	PHE	CE1	C	131.387
69	1	7	PHE	CE2	C	131.387
70	1	7	PHE	CZ	C	130.376
71	1	7	PHE	N	N	121.790
72	1	8	LYS	H	H	8.018
73	1	8	LYS	HA	H	4.420
74	1	8	LYS	HB2	H	1.933
75	1	8	LYS	HB3	H	1.594
76	1	8	LYS	HG2	H	1.387
77	1	8	LYS	HG3	H	1.328
78	1	8	LYS	HD2	H	1.597
79	1	8	LYS	HD3	H	1.597
80	1	8	LYS	HE2	H	2.959
81	1	8	LYS	HE3	H	2.959
82	1	8	LYS	CB	C	33.135
83	1	8	LYS	CG	C	24.970
84	1	8	LYS	CD	C	29.277
85	1	8	LYS	CE	C	42.192
86	1	8	LYS	N	N	121.790
87	1	10	PRO	HA	H	3.378
88	1	10	PRO	HB2	H	1.104
89	1	10	PRO	HB3	H	1.483
90	1	10	PRO	HG2	H	1.684
91	1	10	PRO	HG3	H	1.684
92	1	10	PRO	HD2	H	3.485
93	1	10	PRO	HD3	H	3.304
94	1	10	PRO	CA	C	61.383
95	1	10	PRO	CG	C	23.787
96	1	10	PRO	CD	C	50.359
97	1	11	PHE	H	H	9.334
98	1	11	PHE	HA	H	4.987
99	1	11	PHE	HB2	H	2.564
100	1	11	PHE	HB3	H	3.046
101	1	11	PHE	HD1	H	7.209
102	1	11	PHE	HD2	H	7.209
103	1	11	PHE	HE1	H	6.894
104	1	11	PHE	HE2	H	6.894
105	1	11	PHE	CB	C	40.969
106	1	11	PHE	CD1	C	131.907
107	1	11	PHE	CD2	C	131.907
108	1	12	PRO	HA	H	4.952
109	1	12	PRO	HB2	H	2.208
110	1	12	PRO	HB3	H	2.489
111	1	12	PRO	HG2	H	2.205
112	1	12	PRO	HG3	H	2.351
113	1	12	PRO	HD2	H	4.108
114	1	12	PRO	HD3	H	3.832
115	1	12	PRO	CB	C	32.578
116	1	12	PRO	CG	C	27.655
117	1	12	PRO	CD	C	50.799
118	1	13	THR	H	H	6.809
119	1	13	THR	HA	H	4.586
120	1	13	THR	HB	H	4.557
121	1	13	THR	HG21	H	1.227
122	1	13	THR	HG22	H	1.227
123	1	13	THR	HG23	H	1.227
124	1	13	THR	CG2	C	22.259
125	1	13	THR	N	N	103.632
126	1	14	ILE	H	H	8.122
127	1	14	ILE	HA	H	2.859
128	1	14	ILE	HB	H	-0.302
129	1	14	ILE	HG12	H	0.709
130	1	14	ILE	HG13	H	0.672
131	1	14	ILE	HG21	H	0.473
132	1	14	ILE	HG22	H	0.473
133	1	14	ILE	HG23	H	0.473
134	1	14	ILE	HD11	H	0.574
135	1	14	ILE	HD12	H	0.574
136	1	14	ILE	HD13	H	0.574
137	1	14	ILE	CA	C	63.787
138	1	14	ILE	CB	C	36.135
139	1	14	ILE	CG1	C	29.594
140	1	14	ILE	CG2	C	15.654
141	1	14	ILE	CD1	C	13.522
142	1	14	ILE	N	N	119.170
143	1	15	GLU	H	H	8.310
144	1	15	GLU	HA	H	3.813
145	1	15	GLU	HB2	H	1.767
146	1	15	GLU	HB3	H	1.968
147	1	15	GLU	HG2	H	2.311
148	1	15	GLU	HG3	H	2.131
149	1	15	GLU	CA	C	60.723
150	1	15	GLU	CB	C	28.490
151	1	15	GLU	CG	C	36.677
152	1	15	GLU	N	N	124.425
153	1	16	ILE	H	H	8.481
154	1	16	ILE	HA	H	3.933
155	1	16	ILE	HB	H	1.258
156	1	16	ILE	HG12	H	1.667
157	1	16	ILE	HG13	H	0.565
158	1	16	ILE	HG21	H	0.832
159	1	16	ILE	HG22	H	0.832
160	1	16	ILE	HG23	H	0.832
161	1	16	ILE	HD11	H	0.967
162	1	16	ILE	HD12	H	0.967
163	1	16	ILE	HD13	H	0.967
164	1	16	ILE	CA	C	63.934
165	1	16	ILE	CB	C	31.211
166	1	16	ILE	CG2	C	13.609
167	1	16	ILE	CD1	C	13.357
168	1	17	CYS	H	H	7.611
169	1	17	CYS	HA	H	3.587
170	1	17	CYS	HB2	H	1.573
171	1	17	CYS	HB3	H	1.105
172	1	17	CYS	CA	C	64.577
173	1	17	CYS	CB	C	38.481
174	1	17	CYS	N	N	120.227
175	1	18	SER	H	H	8.668
176	1	18	SER	HA	H	3.891
177	1	18	SER	HB2	H	3.883
178	1	18	SER	HB3	H	3.847
179	1	18	SER	CA	C	62.174
180	1	18	SER	CB	C	62.894
181	1	18	SER	N	N	114.464
182	1	19	LYS	H	H	7.205
183	1	19	LYS	HA	H	3.898
184	1	19	LYS	HB2	H	1.534
185	1	19	LYS	HB3	H	1.587
186	1	19	LYS	HG2	H	0.714
187	1	19	LYS	HG3	H	1.152
188	1	19	LYS	HD2	H	1.366
189	1	19	LYS	HD3	H	1.435
190	1	19	LYS	HE2	H	2.765
191	1	19	LYS	HE3	H	2.764
192	1	19	LYS	CA	C	58.650
193	1	19	LYS	CB	C	31.982
194	1	19	LYS	CG	C	24.534
195	1	19	LYS	CE	C	42.067
196	1	19	LYS	N	N	121.625
197	1	20	TYR	H	H	7.633
198	1	20	TYR	HA	H	3.124
199	1	20	TYR	HB2	H	2.977
200	1	20	TYR	HB3	H	3.126
201	1	20	TYR	HD1	H	6.864
202	1	20	TYR	HD2	H	6.864
203	1	20	TYR	HE1	H	6.745
204	1	20	TYR	HE2	H	6.745
205	1	20	TYR	CA	C	60.633
206	1	20	TYR	CB	C	43.694
207	1	20	TYR	CD1	C	133.391
208	1	20	TYR	CD2	C	133.391
209	1	20	TYR	CE1	C	118.110
210	1	20	TYR	CE2	C	118.110
211	1	21	CYS	H	H	7.707
212	1	21	CYS	HA	H	3.824
213	1	21	CYS	HB2	H	2.946
214	1	21	CYS	HB3	H	3.314
215	1	22	ALA	H	H	8.733
216	1	22	ALA	HA	H	3.773
217	1	22	ALA	HB1	H	1.492
218	1	22	ALA	HB2	H	1.492
219	1	22	ALA	HB3	H	1.492
220	1	22	ALA	CA	C	55.725
221	1	22	ALA	CB	C	18.103
222	1	23	VAL	H	H	7.556
223	1	23	VAL	HA	H	3.900
224	1	23	VAL	HB	H	2.257
225	1	23	VAL	HG11	H	1.107
226	1	23	VAL	HG12	H	1.107
227	1	23	VAL	HG13	H	1.107
228	1	23	VAL	HG21	H	1.043
229	1	23	VAL	HG22	H	1.043
230	1	23	VAL	HG23	H	1.043
231	1	23	VAL	CA	C	64.989
232	1	23	VAL	CB	C	32.098
233	1	23	VAL	CG1	C	18.786
234	1	23	VAL	CG2	C	21.265
235	1	23	VAL	N	N	116.428
236	1	24	VAL	H	H	7.901
237	1	24	VAL	HA	H	3.825
238	1	24	VAL	HB	H	2.168
239	1	24	VAL	HG11	H	1.253
240	1	24	VAL	HG12	H	1.253
241	1	24	VAL	HG13	H	1.253
242	1	24	VAL	HG21	H	1.040
243	1	24	VAL	HG22	H	1.040
244	1	24	VAL	HG23	H	1.040
245	1	24	VAL	CA	C	65.981
246	1	24	VAL	CB	C	31.964
247	1	24	VAL	CG1	C	23.054
248	1	24	VAL	CG2	C	21.718
249	1	24	VAL	N	N	120.799
250	1	25	CYS	H	H	8.188
251	1	25	CYS	HA	H	4.618
252	1	25	CYS	HB2	H	1.921
253	1	25	CYS	HB3	H	2.411
254	1	25	CYS	N	N	114.884
255	1	26	ASN	H	H	7.903
256	1	26	ASN	HA	H	4.416
257	1	26	ASN	HB2	H	3.158
258	1	26	ASN	HB3	H	2.733
259	1	26	ASN	HD21	H	6.805
260	1	26	ASN	HD22	H	7.551
261	1	26	ASN	CA	C	54.268
262	1	26	ASN	CB	C	37.389
263	1	26	ASN	N	N	118.154
264	1	26	ASN	ND2	N	111.990
265	1	27	TYR	H	H	8.258
266	1	27	TYR	HA	H	4.895
267	1	27	TYR	HB2	H	3.079
268	1	27	TYR	HB3	H	2.936
269	1	27	TYR	HD1	H	6.865
270	1	27	TYR	HD2	H	6.865
271	1	27	TYR	HE1	H	6.866
272	1	27	TYR	HE2	H	6.866
273	1	27	TYR	CB	C	39.655
274	1	27	TYR	CD1	C	132.006
275	1	27	TYR	CD2	C	132.006
276	1	27	TYR	CE1	C	118.510
277	1	27	TYR	CE2	C	118.510
278	1	27	TYR	N	N	117.454
279	1	28	THR	H	H	8.268
280	1	28	THR	HA	H	4.424
281	1	28	THR	HB	H	4.239
282	1	28	THR	HG21	H	1.155
283	1	28	THR	HG22	H	1.155
284	1	28	THR	HG23	H	1.155
285	1	28	THR	CA	C	61.786
286	1	28	THR	CB	C	69.865
287	1	28	THR	CG2	C	21.531
288	1	28	THR	N	N	113.744
289	1	29	SER	H	H	8.414
290	1	29	SER	HA	H	4.340
291	1	29	SER	HB2	H	3.908
292	1	29	SER	HB3	H	3.934
293	1	29	SER	CA	C	58.632
294	1	29	SER	CB	C	63.141
295	1	29	SER	N	N	116.464
296	1	30	ARG	H	H	7.514
297	1	30	ARG	HA	H	4.679
298	1	30	ARG	HB2	H	1.628
299	1	30	ARG	HB3	H	1.510
300	1	30	ARG	HG2	H	1.456
301	1	30	ARG	HG3	H	1.364
302	1	30	ARG	HD2	H	2.534
303	1	30	ARG	HD3	H	2.709
304	1	30	ARG	HE	H	6.763
305	1	30	ARG	CB	C	30.815
306	1	30	ARG	CG	C	29.336
307	1	30	ARG	CD	C	43.472
308	1	30	ARG	N	N	120.652
309	1	30	ARG	NE	N	116.410
310	1	31	PRO	HA	H	4.323
311	1	31	PRO	HB2	H	1.786
312	1	31	PRO	HB3	H	2.262
313	1	31	PRO	HG2	H	1.966
314	1	31	PRO	HG3	H	2.050
315	1	31	PRO	HD2	H	3.579
316	1	31	PRO	HD3	H	3.785
317	1	31	PRO	CA	C	63.079
318	1	31	PRO	CB	C	32.423
319	1	31	PRO	CG	C	27.690
320	1	31	PRO	CD	C	50.649
321	1	32	CYS	H	H	8.419
322	1	32	CYS	HA	H	5.068
323	1	32	CYS	HB2	H	3.189
324	1	32	CYS	HB3	H	2.787
325	1	32	CYS	N	N	122.672
326	1	33	TYR	H	H	9.141
327	1	33	TYR	HA	H	5.027
328	1	33	TYR	HB2	H	3.075
329	1	33	TYR	HB3	H	3.076
330	1	33	TYR	HD1	H	7.085
331	1	33	TYR	HD2	H	7.085
332	1	33	TYR	HE1	H	6.638
333	1	33	TYR	HE2	H	6.638
334	1	33	TYR	CB	C	40.880
335	1	33	TYR	CD1	C	133.701
336	1	33	TYR	CD2	C	133.701
337	1	33	TYR	CE1	C	117.914
338	1	33	TYR	CE2	C	117.914
339	1	34	CYS	H	H	8.773
340	1	34	CYS	HA	H	5.747
341	1	34	CYS	HB2	H	3.878
342	1	34	CYS	HB3	H	3.071
343	1	34	CYS	CA	C	56.423
344	1	35	VAL	H	H	9.260
345	1	35	VAL	HA	H	4.805
346	1	35	VAL	HB	H	2.125
347	1	35	VAL	HG11	H	0.929
348	1	35	VAL	HG12	H	0.929
349	1	35	VAL	HG13	H	0.929
350	1	35	VAL	HG21	H	0.894
351	1	35	VAL	HG22	H	0.894
352	1	35	VAL	HG23	H	0.894
353	1	35	VAL	CB	C	35.907
354	1	35	VAL	CG1	C	21.562
355	1	35	VAL	CG2	C	19.500
356	1	36	GLU	H	H	6.846
357	1	36	GLU	HA	H	4.458
358	1	36	GLU	HB2	H	1.931
359	1	36	GLU	HB3	H	1.958
360	1	36	GLU	HG3	H	3.173
361	1	37	ALA	H	H	8.427
362	1	37	ALA	HA	H	4.246
363	1	37	ALA	HB1	H	1.484
364	1	37	ALA	HB2	H	1.484
365	1	37	ALA	HB3	H	1.484
366	1	37	ALA	CA	C	52.499
367	1	37	ALA	CB	C	19.653
368	1	37	ALA	N	N	128.316
369	1	38	ALA	H	H	8.230
370	1	38	ALA	HA	H	4.113
371	1	38	ALA	HB1	H	1.377
372	1	38	ALA	HB2	H	1.377
373	1	38	ALA	HB3	H	1.377
374	1	38	ALA	CA	C	53.757
375	1	38	ALA	CB	C	19.199
376	1	38	ALA	N	N	122.964
377	1	39	LYS	H	H	8.294
378	1	39	LYS	HA	H	4.171
379	1	39	LYS	HB2	H	1.905
380	1	39	LYS	HB3	H	1.806
381	1	39	LYS	HG2	H	1.339
382	1	39	LYS	HG3	H	1.385
383	1	39	LYS	HD2	H	1.645
384	1	39	LYS	HD3	H	1.645
385	1	39	LYS	HE2	H	2.959
386	1	39	LYS	HE3	H	2.959
387	1	39	LYS	CA	C	56.929
388	1	39	LYS	CB	C	32.386
389	1	39	LYS	CG	C	24.970
390	1	39	LYS	CD	C	29.013
391	1	39	LYS	CE	C	42.192
392	1	39	LYS	N	N	115.436
393	1	40	GLU	H	H	7.485
394	1	40	GLU	HA	H	4.421
395	1	40	GLU	HB2	H	1.925
396	1	40	GLU	HB3	H	1.758
397	1	40	GLU	HG2	H	2.217
398	1	40	GLU	HG3	H	2.215
399	1	40	GLU	CA	C	55.422
400	1	40	GLU	CB	C	30.325
401	1	40	GLU	CG	C	35.123
402	1	41	ARG	H	H	8.148
403	1	41	ARG	HA	H	4.179
404	1	41	ARG	HB2	H	1.810
405	1	41	ARG	HB3	H	1.726
406	1	41	ARG	HG2	H	1.620
407	1	41	ARG	HG3	H	1.618
408	1	41	ARG	HD2	H	3.193
409	1	41	ARG	HD3	H	3.192
410	1	41	ARG	HE	H	7.240
411	1	41	ARG	CA	C	55.960
412	1	41	ARG	CB	C	30.764
413	1	41	ARG	CG	C	26.825
414	1	41	ARG	CD	C	43.164
415	1	41	ARG	N	N	119.353
416	1	41	ARG	NE	N	116.581
417	1	42	ASP	H	H	8.925
418	1	42	ASP	HA	H	4.509
419	1	42	ASP	HB2	H	3.069
420	1	42	ASP	HB3	H	2.924
421	1	42	ASP	CA	C	55.164
422	1	42	ASP	CB	C	38.675
423	1	42	ASP	N	N	117.678
424	1	43	GLN	H	H	7.328
425	1	43	GLN	HA	H	4.518
426	1	43	GLN	HB2	H	1.807
427	1	43	GLN	HB3	H	1.709
428	1	43	GLN	HG2	H	2.059
429	1	43	GLN	HG3	H	2.242
430	1	43	GLN	HE21	H	6.596
431	1	43	GLN	HE22	H	7.334
432	1	43	GLN	CB	C	30.749
433	1	43	GLN	NE2	N	110.176
434	1	44	TRP	H	H	8.754
435	1	44	TRP	HA	H	4.953
436	1	44	TRP	HB2	H	2.786
437	1	44	TRP	HB3	H	3.044
438	1	44	TRP	HD1	H	6.733
439	1	44	TRP	HE1	H	10.124
440	1	44	TRP	HE3	H	7.012
441	1	44	TRP	HZ2	H	7.457
442	1	44	TRP	HZ3	H	7.055
443	1	44	TRP	HH2	H	7.214
444	1	44	TRP	CD1	C	117.937
445	1	44	TRP	CE3	C	118.749
446	1	44	TRP	CZ2	C	115.211
447	1	44	TRP	CZ3	C	122.969
448	1	44	TRP	CH2	C	124.897
449	1	45	PHE	H	H	9.668
450	1	45	PHE	HA	H	5.362
451	1	45	PHE	HB2	H	2.796
452	1	45	PHE	HB3	H	3.098
453	1	45	PHE	HD1	H	7.244
454	1	45	PHE	HD2	H	7.244
455	1	45	PHE	HE1	H	7.086
456	1	45	PHE	HE2	H	7.086
457	1	45	PHE	HZ	H	7.213
458	1	45	PHE	CA	C	55.517
459	1	45	PHE	CB	C	42.402
460	1	45	PHE	CD1	C	132.251
461	1	45	PHE	CD2	C	132.251
462	1	45	PHE	CZ	C	54.786
463	1	46	PRO	HA	H	4.813
464	1	46	PRO	HB2	H	2.141
465	1	46	PRO	HB3	H	2.144
466	1	46	PRO	HG2	H	1.955
467	1	46	PRO	HG3	H	1.954
468	1	46	PRO	HD2	H	4.131
469	1	46	PRO	HD3	H	4.244
470	1	46	PRO	CD	C	50.596
471	1	47	TYR	H	H	9.034
472	1	47	TYR	HA	H	4.703
473	1	47	TYR	HB2	H	2.601
474	1	47	TYR	HB3	H	2.922
475	1	47	TYR	HD1	H	7.067
476	1	47	TYR	HD2	H	7.067
477	1	47	TYR	HE1	H	6.758
478	1	47	TYR	HE2	H	6.758
479	1	47	TYR	CB	C	39.879
480	1	47	TYR	CD1	C	58.426
481	1	47	TYR	CD2	C	58.426
482	1	47	TYR	CE1	C	118.222
483	1	47	TYR	CE2	C	118.222
484	1	47	TYR	N	N	126.926
485	1	48	CYS	H	H	7.845
486	1	48	CYS	HA	H	4.824
487	1	48	CYS	HB2	H	2.976
488	1	48	CYS	HB3	H	2.527
489	1	49	TYR	H	H	7.316
490	1	49	TYR	HA	H	4.455
491	1	49	TYR	HB2	H	2.580
492	1	49	TYR	HB3	H	2.971
493	1	49	TYR	HD1	H	6.864
494	1	49	TYR	HD2	H	6.864
495	1	49	TYR	HE1	H	6.746
496	1	49	TYR	HE2	H	6.746
497	1	49	TYR	CB	C	39.242
498	1	49	TYR	CD1	C	132.731
499	1	49	TYR	CD2	C	132.731
500	1	49	TYR	CE1	C	118.156
501	1	49	TYR	CE2	C	118.156
502	1	50	ASP	H	H	7.877
503	1	50	ASP	HA	H	4.368
504	1	50	ASP	HB2	H	2.577
505	1	50	ASP	HB3	H	2.662
506	1	50	ASP	CA	C	55.464
507	1	50	ASP	CB	C	41.759
508	1	50	ASP	N	N	125.456

Release date

2021-10-14

Citation

Aphid BCR4 Structure and Activity Uncover a New Defensin Peptide Superfamily
Loth, K., Parisot, N., Paquet, F., Terrasson, H., Sivignon, C., Rahioui, I., Ribeiro Lopes, M., Gaget, K., Duport, G., Delmas, A.F., Aucagne, V., Heddi, A., Calevro, F., da Silva, P.
Int. J. Mol. Sci. (2022), 23, 12480-12480, PubMed 36293341 , DOI 10.3390/ijms232012480 , Abstract

Related entities 1. BCR4, : 1 : 6 entities Detail

Experiments performed 4 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	BCR4	unlabelled		0.6 mM

#	Name	Isotope labeling	Type	Concentration
1	BCR4	unlabelled		0.6 mM

#	Name	Isotope labeling	Type	Concentration
1	BCR4	unlabelled		0.6 mM

#	Name	Isotope labeling	Type	Concentration
1	BCR4	unlabelled		0.6 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34667_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	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:17:CYS:SG	1:34:CYS:SG	oxidized, CA 64.577, CB 38.481 ppm	unknown, CA 56.423 ppm	n/a
1:21:CYS:SG	1:32:CYS:SG	unknown	unknown	n/a
1:25:CYS:SG	1:48:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr34667_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	508		98.0 (chain: 1, length: 50)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 50, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 334
  - ¹³C chemical shifts: 142
  - ¹⁵N chemical shifts: 32
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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	308	302	98.1
¹³C chemical shifts	237	142	59.9
¹⁵N chemical shifts	50	32	64.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	92	95.8
¹³C chemical shifts	100	28	28.0
¹⁵N chemical shifts	45	28	62.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	212	210	99.1
¹³C chemical shifts	137	114	83.2
¹⁵N chemical shifts	5	4	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	16	100.0
¹³C chemical shifts	16	16	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	45	97.8
¹³C chemical shifts	45	37	82.2
¹⁵N chemical shifts	1	0	0.0

Keywords ANTIMICROBIAL PROTEIN, Endosymbiosis Pesticide Antimicrobial Disulfide rich peptide BCR1 family

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BMRB: 34667

Related entities 1. BCR4, : 1 : 6 entities Detail

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail