BMRBj - BMREntryMaster

Found 1 Document (1.644 seconds)

BMRB: 36165

5ZAZ

Solution structure of integrin b2 monomer tranmembrane domain in bicelle

Authors

Li, H., Guo, J., Xu, C.

Assembly

Integrin beta-2

Entity

1. Integrin beta-2 (polymer, Thiol state: not present), 52 monomers, 5641.565 Da Detail

PVDESRESVA GPNIAAIVGG TVAGIVLIGI LLLVIWKALI HLSDLREYRR FE

Formula weight

5641.565 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 396, ¹³C: 235, ¹⁵N: 56 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	PRO	HA	H	4.450	0.030	1
2	1	1	PRO	HB2	H	2.478	0.030	2
3	1	1	PRO	HB3	H	2.078	0.030	2
4	1	1	PRO	HG2	H	2.070	0.030	2
5	1	1	PRO	HG3	H	2.070	0.030	2
6	1	1	PRO	HD2	H	3.452	0.030	2
7	1	1	PRO	HD3	H	3.384	0.030	2
8	1	1	PRO	C	C	172.594	0.300	1
9	1	1	PRO	CA	C	62.612	0.300	1
10	1	1	PRO	CB	C	32.407	0.300	1
11	1	1	PRO	CG	C	26.589	0.300	1
12	1	1	PRO	CD	C	49.402	0.300	1
13	1	2	VAL	H	H	8.580	0.030	1
14	1	2	VAL	HA	H	4.150	0.030	1
15	1	2	VAL	HB	H	2.112	0.030	1
16	1	2	VAL	HG11	H	0.949	0.030	2
17	1	2	VAL	HG12	H	0.949	0.030	2
18	1	2	VAL	HG13	H	0.949	0.030	2
19	1	2	VAL	HG21	H	0.949	0.030	2
20	1	2	VAL	HG22	H	0.949	0.030	2
21	1	2	VAL	HG23	H	0.949	0.030	2
22	1	2	VAL	C	C	175.428	0.300	1
23	1	2	VAL	CA	C	62.753	0.300	1
24	1	2	VAL	CB	C	32.866	0.300	1
25	1	2	VAL	CG1	C	20.618	0.300	2
26	1	2	VAL	CG2	C	20.618	0.300	2
27	1	2	VAL	N	N	119.474	0.300	1
28	1	3	ASP	H	H	8.445	0.030	1
29	1	3	ASP	HA	H	4.629	0.030	1
30	1	3	ASP	HB2	H	2.742	0.030	2
31	1	3	ASP	HB3	H	2.625	0.030	2
32	1	3	ASP	C	C	176.216	0.300	1
33	1	3	ASP	CA	C	54.173	0.300	1
34	1	3	ASP	CB	C	41.156	0.300	1
35	1	3	ASP	N	N	123.794	0.300	1
36	1	4	GLU	H	H	8.482	0.030	1
37	1	4	GLU	HA	H	4.309	0.030	1
38	1	4	GLU	HB2	H	2.115	0.030	2
39	1	4	GLU	HB3	H	1.940	0.030	2
40	1	4	GLU	HG2	H	2.275	0.030	2
41	1	4	GLU	HG3	H	2.306	0.030	2
42	1	4	GLU	C	C	176.619	0.300	1
43	1	4	GLU	CA	C	56.749	0.300	1
44	1	4	GLU	CB	C	30.047	0.300	1
45	1	4	GLU	CG	C	36.332	0.300	1
46	1	4	GLU	N	N	122.414	0.300	1
47	1	5	SER	H	H	8.443	0.030	1
48	1	5	SER	HA	H	4.412	0.030	1
49	1	5	SER	HB2	H	3.926	0.030	2
50	1	5	SER	HB3	H	3.926	0.030	2
51	1	5	SER	C	C	174.789	0.300	1
52	1	5	SER	CA	C	58.923	0.300	1
53	1	5	SER	CB	C	63.790	0.300	1
54	1	5	SER	N	N	116.890	0.300	1
55	1	6	ARG	H	H	8.256	0.030	1
56	1	6	ARG	HA	H	4.378	0.030	1
57	1	6	ARG	HB2	H	1.917	0.030	2
58	1	6	ARG	HB3	H	1.774	0.030	2
59	1	6	ARG	HG2	H	1.641	0.030	2
60	1	6	ARG	HG3	H	1.641	0.030	2
61	1	6	ARG	HD2	H	3.220	0.030	2
62	1	6	ARG	HD3	H	3.235	0.030	2
63	1	6	ARG	HE	H	7.455	0.030	1
64	1	6	ARG	C	C	176.265	0.300	1
65	1	6	ARG	CA	C	56.187	0.300	1
66	1	6	ARG	CB	C	30.764	0.300	1
67	1	6	ARG	CG	C	27.106	0.300	1
68	1	6	ARG	CD	C	43.372	0.300	1
69	1	6	ARG	N	N	122.658	0.300	1
70	1	6	ARG	NE	N	84.715	0.300	1
71	1	7	GLU	H	H	8.350	0.030	1
72	1	7	GLU	HA	H	4.302	0.030	1
73	1	7	GLU	HB2	H	2.061	0.030	2
74	1	7	GLU	HB3	H	1.945	0.030	2
75	1	7	GLU	HG2	H	2.273	0.030	2
76	1	7	GLU	HG3	H	2.273	0.030	2
77	1	7	GLU	C	C	176.491	0.300	1
78	1	7	GLU	CA	C	56.868	0.300	1
79	1	7	GLU	CB	C	30.231	0.300	1
80	1	7	GLU	CG	C	36.212	0.300	1
81	1	7	GLU	N	N	121.218	0.300	1
82	1	8	SER	H	H	8.307	0.030	1
83	1	8	SER	HA	H	4.491	0.030	1
84	1	8	SER	HB2	H	3.872	0.030	2
85	1	8	SER	HB3	H	3.872	0.030	2
86	1	8	SER	C	C	174.454	0.300	1
87	1	8	SER	CA	C	58.374	0.300	1
88	1	8	SER	CB	C	63.803	0.300	1
89	1	8	SER	N	N	116.737	0.300	1
90	1	9	VAL	H	H	8.139	0.030	1
91	1	9	VAL	HA	H	4.186	0.030	1
92	1	9	VAL	HB	H	2.128	0.030	1
93	1	9	VAL	HG11	H	0.949	0.030	2
94	1	9	VAL	HG12	H	0.949	0.030	2
95	1	9	VAL	HG13	H	0.949	0.030	2
96	1	9	VAL	HG21	H	0.954	0.030	2
97	1	9	VAL	HG22	H	0.954	0.030	2
98	1	9	VAL	HG23	H	0.954	0.030	2
99	1	9	VAL	C	C	175.596	0.300	1
100	1	9	VAL	CA	C	62.044	0.300	1
101	1	9	VAL	CB	C	32.740	0.300	1
102	1	9	VAL	CG1	C	20.486	0.300	2
103	1	9	VAL	CG2	C	21.301	0.300	2
104	1	9	VAL	N	N	121.488	0.300	1
105	1	10	ALA	H	H	8.342	0.030	1
106	1	10	ALA	HA	H	4.390	0.030	1
107	1	10	ALA	HB1	H	1.425	0.030	1
108	1	10	ALA	HB2	H	1.425	0.030	1
109	1	10	ALA	HB3	H	1.425	0.030	1
110	1	10	ALA	C	C	177.672	0.300	1
111	1	10	ALA	CA	C	52.503	0.300	1
112	1	10	ALA	CB	C	19.754	0.300	1
113	1	10	ALA	N	N	127.333	0.300	1
114	1	11	GLY	H	H	8.225	0.030	1
115	1	11	GLY	HA2	H	4.070	0.030	2
116	1	11	GLY	HA3	H	4.175	0.030	2
117	1	11	GLY	CA	C	44.804	0.300	1
118	1	11	GLY	N	N	107.898	0.300	1
119	1	12	PRO	HA	H	4.460	0.030	1
120	1	12	PRO	HB2	H	2.280	0.030	2
121	1	12	PRO	HB3	H	1.816	0.030	2
122	1	12	PRO	HG2	H	2.019	0.030	2
123	1	12	PRO	HG3	H	2.019	0.030	2
124	1	12	PRO	HD2	H	3.670	0.030	2
125	1	12	PRO	HD3	H	3.670	0.030	2
126	1	12	PRO	C	C	176.452	0.300	1
127	1	12	PRO	CA	C	63.114	0.300	1
128	1	12	PRO	CB	C	32.293	0.300	1
129	1	12	PRO	CG	C	27.326	0.300	1
130	1	12	PRO	CD	C	49.753	0.300	1
131	1	13	ASN	H	H	8.658	0.030	1
132	1	13	ASN	HA	H	4.777	0.030	1
133	1	13	ASN	HB2	H	2.906	0.030	2
134	1	13	ASN	HB3	H	3.030	0.030	2
135	1	13	ASN	HD21	H	7.818	0.030	2
136	1	13	ASN	HD22	H	6.973	0.030	2
137	1	13	ASN	CA	C	52.952	0.300	1
138	1	13	ASN	CB	C	38.063	0.300	1
139	1	13	ASN	N	N	119.410	0.300	1
140	1	13	ASN	ND2	N	112.183	0.300	1
141	1	14	ILE	H	H	8.291	0.030	1
142	1	14	ILE	HA	H	3.800	0.030	1
143	1	14	ILE	HB	H	2.023	0.030	1
144	1	14	ILE	HG12	H	1.346	0.030	2
145	1	14	ILE	HG13	H	1.620	0.030	2
146	1	14	ILE	HG21	H	0.969	0.030	1
147	1	14	ILE	HG22	H	0.969	0.030	1
148	1	14	ILE	HG23	H	0.969	0.030	1
149	1	14	ILE	HD11	H	0.910	0.030	1
150	1	14	ILE	HD12	H	0.910	0.030	1
151	1	14	ILE	HD13	H	0.910	0.030	1
152	1	14	ILE	C	C	176.993	0.300	1
153	1	14	ILE	CA	C	63.735	0.300	1
154	1	14	ILE	CB	C	37.203	0.300	1
155	1	14	ILE	CG1	C	28.675	0.300	1
156	1	14	ILE	CG2	C	17.768	0.300	1
157	1	14	ILE	CD1	C	12.463	0.300	1
158	1	14	ILE	N	N	122.733	0.300	1
159	1	15	ALA	H	H	8.555	0.030	1
160	1	15	ALA	HA	H	3.972	0.030	1
161	1	15	ALA	HB1	H	1.502	0.030	1
162	1	15	ALA	HB2	H	1.502	0.030	1
163	1	15	ALA	HB3	H	1.502	0.030	1
164	1	15	ALA	C	C	179.463	0.300	1
165	1	15	ALA	CA	C	55.828	0.300	1
166	1	15	ALA	CB	C	18.167	0.300	1
167	1	15	ALA	N	N	122.634	0.300	1
168	1	16	ALA	H	H	7.778	0.030	1
169	1	16	ALA	HA	H	4.078	0.030	1
170	1	16	ALA	HB1	H	1.495	0.030	1
171	1	16	ALA	HB2	H	1.495	0.030	1
172	1	16	ALA	HB3	H	1.495	0.030	1
173	1	16	ALA	C	C	179.719	0.300	1
174	1	16	ALA	CA	C	55.037	0.300	1
175	1	16	ALA	CB	C	18.389	0.300	1
176	1	16	ALA	N	N	119.051	0.300	1
177	1	17	ILE	H	H	7.939	0.030	1
178	1	17	ILE	HA	H	3.752	0.030	1
179	1	17	ILE	HB	H	2.000	0.030	1
180	1	17	ILE	HG12	H	1.071	0.030	2
181	1	17	ILE	HG13	H	1.071	0.030	2
182	1	17	ILE	HG21	H	0.879	0.030	1
183	1	17	ILE	HG22	H	0.879	0.030	1
184	1	17	ILE	HG23	H	0.879	0.030	1
185	1	17	ILE	HD11	H	0.883	0.030	1
186	1	17	ILE	HD12	H	0.883	0.030	1
187	1	17	ILE	HD13	H	0.883	0.030	1
188	1	17	ILE	C	C	179.050	0.300	1
189	1	17	ILE	CA	C	64.996	0.300	1
190	1	17	ILE	CB	C	37.800	0.300	1
191	1	17	ILE	CG1	C	29.200	0.300	1
192	1	17	ILE	CG2	C	17.332	0.300	1
193	1	17	ILE	CD1	C	13.577	0.300	1
194	1	17	ILE	N	N	117.785	0.300	1
195	1	18	VAL	H	H	8.855	0.030	1
196	1	18	VAL	HA	H	3.610	0.030	1
197	1	18	VAL	HB	H	2.195	0.030	1
198	1	18	VAL	HG11	H	0.890	0.030	2
199	1	18	VAL	HG12	H	0.890	0.030	2
200	1	18	VAL	HG13	H	0.890	0.030	2
201	1	18	VAL	HG21	H	1.048	0.030	2
202	1	18	VAL	HG22	H	1.048	0.030	2
203	1	18	VAL	HG23	H	1.048	0.030	2
204	1	18	VAL	C	C	177.574	0.300	1
205	1	18	VAL	CA	C	67.302	0.300	1
206	1	18	VAL	CB	C	31.450	0.300	1
207	1	18	VAL	CG1	C	21.655	0.300	2
208	1	18	VAL	CG2	C	23.377	0.300	2
209	1	18	VAL	N	N	121.536	0.300	1
210	1	19	GLY	H	H	8.799	0.030	1
211	1	19	GLY	HA2	H	3.742	0.030	2
212	1	19	GLY	HA3	H	3.742	0.030	2
213	1	19	GLY	C	C	175.153	0.300	1
214	1	19	GLY	CA	C	47.541	0.300	1
215	1	19	GLY	N	N	106.823	0.300	1
216	1	20	GLY	H	H	8.699	0.030	1
217	1	20	GLY	HA2	H	3.804	0.030	2
218	1	20	GLY	HA3	H	3.649	0.030	2
219	1	20	GLY	C	C	174.631	0.300	1
220	1	20	GLY	CA	C	47.650	0.300	1
221	1	20	GLY	N	N	107.850	0.300	1
222	1	21	THR	H	H	8.018	0.030	1
223	1	21	THR	HA	H	4.300	0.030	1
224	1	21	THR	HB	H	3.860	0.030	1
225	1	21	THR	HG21	H	1.137	0.030	1
226	1	21	THR	HG22	H	1.137	0.030	1
227	1	21	THR	HG23	H	1.137	0.030	1
228	1	21	THR	C	C	176.265	0.300	1
229	1	21	THR	CA	C	68.600	0.300	1
230	1	21	THR	CB	C	66.489	0.300	1
231	1	21	THR	CG2	C	21.478	0.300	1
232	1	21	THR	N	N	118.550	0.300	1
233	1	22	VAL	H	H	8.339	0.030	1
234	1	22	VAL	HA	H	3.540	0.030	1
235	1	22	VAL	HB	H	2.204	0.030	1
236	1	22	VAL	HG11	H	0.879	0.030	2
237	1	22	VAL	HG12	H	0.879	0.030	2
238	1	22	VAL	HG13	H	0.879	0.030	2
239	1	22	VAL	HG21	H	1.045	0.030	2
240	1	22	VAL	HG22	H	1.045	0.030	2
241	1	22	VAL	HG23	H	1.045	0.030	2
242	1	22	VAL	C	C	177.033	0.300	1
243	1	22	VAL	CA	C	67.509	0.300	1
244	1	22	VAL	CB	C	31.150	0.300	1
245	1	22	VAL	CG1	C	21.402	0.300	2
246	1	22	VAL	CG2	C	23.428	0.300	2
247	1	22	VAL	N	N	119.867	0.300	1
248	1	23	ALA	H	H	8.371	0.030	1
249	1	23	ALA	HA	H	3.878	0.030	1
250	1	23	ALA	HB1	H	1.457	0.030	1
251	1	23	ALA	HB2	H	1.457	0.030	1
252	1	23	ALA	HB3	H	1.457	0.030	1
253	1	23	ALA	C	C	178.824	0.300	1
254	1	23	ALA	CA	C	55.763	0.300	1
255	1	23	ALA	CB	C	18.153	0.300	1
256	1	23	ALA	N	N	119.721	0.300	1
257	1	24	GLY	H	H	8.467	0.030	1
258	1	24	GLY	HA2	H	3.670	0.030	2
259	1	24	GLY	HA3	H	3.670	0.030	2
260	1	24	GLY	C	C	174.367	0.300	1
261	1	24	GLY	CA	C	48.082	0.300	1
262	1	24	GLY	N	N	103.921	0.300	1
263	1	25	ILE	H	H	8.305	0.030	1
264	1	25	ILE	HA	H	3.640	0.030	1
265	1	25	ILE	HB	H	2.015	0.030	1
266	1	25	ILE	HG12	H	1.065	0.030	2
267	1	25	ILE	HG13	H	1.990	0.030	2
268	1	25	ILE	HG21	H	0.950	0.030	1
269	1	25	ILE	HG22	H	0.950	0.030	1
270	1	25	ILE	HG23	H	0.950	0.030	1
271	1	25	ILE	HD11	H	0.788	0.030	1
272	1	25	ILE	HD12	H	0.788	0.030	1
273	1	25	ILE	HD13	H	0.788	0.030	1
274	1	25	ILE	C	C	177.367	0.300	1
275	1	25	ILE	CA	C	65.870	0.300	1
276	1	25	ILE	CB	C	37.390	0.300	1
277	1	25	ILE	CG1	C	29.613	0.300	1
278	1	25	ILE	CG2	C	17.472	0.300	1
279	1	25	ILE	CD1	C	12.863	0.300	1
280	1	25	ILE	N	N	120.888	0.300	1
281	1	26	VAL	H	H	8.246	0.030	1
282	1	26	VAL	HA	H	3.630	0.030	1
283	1	26	VAL	HB	H	2.230	0.030	1
284	1	26	VAL	HG11	H	1.055	0.030	2
285	1	26	VAL	HG12	H	1.055	0.030	2
286	1	26	VAL	HG13	H	1.055	0.030	2
287	1	26	VAL	HG21	H	0.890	0.030	2
288	1	26	VAL	HG22	H	0.890	0.030	2
289	1	26	VAL	HG23	H	0.890	0.030	2
290	1	26	VAL	C	C	177.220	0.300	1
291	1	26	VAL	CA	C	67.116	0.300	1
292	1	26	VAL	CB	C	31.311	0.300	1
293	1	26	VAL	CG1	C	23.307	0.300	2
294	1	26	VAL	CG2	C	21.730	0.300	2
295	1	26	VAL	N	N	118.858	0.300	1
296	1	27	LEU	H	H	8.397	0.030	1
297	1	27	LEU	HA	H	3.990	0.030	1
298	1	27	LEU	HB2	H	1.830	0.030	2
299	1	27	LEU	HB3	H	1.830	0.030	2
300	1	27	LEU	HG	H	1.445	0.030	1
301	1	27	LEU	HD11	H	0.896	0.030	2
302	1	27	LEU	HD12	H	0.896	0.030	2
303	1	27	LEU	HD13	H	0.896	0.030	2
304	1	27	LEU	HD21	H	0.870	0.030	2
305	1	27	LEU	HD22	H	0.870	0.030	2
306	1	27	LEU	HD23	H	0.870	0.030	2
307	1	27	LEU	C	C	178.312	0.300	1
308	1	27	LEU	CA	C	58.538	0.300	1
309	1	27	LEU	CB	C	41.704	0.300	1
310	1	27	LEU	CG	C	26.821	0.300	1
311	1	27	LEU	CD1	C	24.481	0.300	2
312	1	27	LEU	CD2	C	27.000	0.300	2
313	1	27	LEU	N	N	118.474	0.300	1
314	1	28	ILE	H	H	8.328	0.030	1
315	1	28	ILE	HA	H	3.630	0.030	1
316	1	28	ILE	HB	H	2.035	0.030	1
317	1	28	ILE	HG12	H	1.120	0.030	2
318	1	28	ILE	HG13	H	1.830	0.030	2
319	1	28	ILE	HG21	H	0.878	0.030	1
320	1	28	ILE	HG22	H	0.878	0.030	1
321	1	28	ILE	HG23	H	0.878	0.030	1
322	1	28	ILE	HD11	H	0.790	0.030	1
323	1	28	ILE	HD12	H	0.790	0.030	1
324	1	28	ILE	HD13	H	0.790	0.030	1
325	1	28	ILE	C	C	177.485	0.300	1
326	1	28	ILE	CA	C	65.137	0.300	1
327	1	28	ILE	CB	C	37.777	0.300	1
328	1	28	ILE	CG1	C	29.400	0.300	1
329	1	28	ILE	CG2	C	17.302	0.300	1
330	1	28	ILE	CD1	C	12.533	0.300	1
331	1	28	ILE	N	N	117.690	0.300	1
332	1	29	GLY	H	H	8.591	0.030	1
333	1	29	GLY	HA2	H	3.663	0.030	2
334	1	29	GLY	HA3	H	3.663	0.030	2
335	1	29	GLY	C	C	174.464	0.300	1
336	1	29	GLY	CA	C	48.526	0.300	1
337	1	29	GLY	N	N	107.471	0.300	1
338	1	30	ILE	H	H	8.517	0.030	1
339	1	30	ILE	HA	H	3.664	0.030	1
340	1	30	ILE	HB	H	2.030	0.030	1
341	1	30	ILE	HG12	H	1.070	0.030	2
342	1	30	ILE	HG13	H	1.250	0.030	2
343	1	30	ILE	HG21	H	0.885	0.030	1
344	1	30	ILE	HG22	H	0.885	0.030	1
345	1	30	ILE	HG23	H	0.885	0.030	1
346	1	30	ILE	HD11	H	0.813	0.030	1
347	1	30	ILE	HD12	H	0.813	0.030	1
348	1	30	ILE	HD13	H	0.813	0.030	1
349	1	30	ILE	C	C	177.259	0.300	1
350	1	30	ILE	CA	C	65.520	0.300	1
351	1	30	ILE	CB	C	37.425	0.300	1
352	1	30	ILE	CG1	C	29.249	0.300	1
353	1	30	ILE	CG2	C	17.364	0.300	1
354	1	30	ILE	CD1	C	13.747	0.300	1
355	1	30	ILE	N	N	119.917	0.300	1
356	1	31	LEU	H	H	8.270	0.030	1
357	1	31	LEU	HA	H	3.980	0.030	1
358	1	31	LEU	HB2	H	1.840	0.030	2
359	1	31	LEU	HB3	H	1.877	0.030	2
360	1	31	LEU	HD11	H	0.872	0.030	2
361	1	31	LEU	HD12	H	0.872	0.030	2
362	1	31	LEU	HD13	H	0.872	0.030	2
363	1	31	LEU	HD21	H	0.870	0.030	2
364	1	31	LEU	HD22	H	0.870	0.030	2
365	1	31	LEU	HD23	H	0.870	0.030	2
366	1	31	LEU	C	C	178.430	0.300	1
367	1	31	LEU	CA	C	58.581	0.300	1
368	1	31	LEU	CB	C	41.557	0.300	1
369	1	31	LEU	CD1	C	24.470	0.300	2
370	1	31	LEU	CD2	C	24.470	0.300	2
371	1	31	LEU	N	N	119.452	0.300	1
372	1	32	LEU	H	H	8.595	0.030	1
373	1	32	LEU	HA	H	4.062	0.030	1
374	1	32	LEU	HB2	H	2.055	0.030	2
375	1	32	LEU	HB3	H	1.760	0.030	2
376	1	32	LEU	HG	H	1.453	0.030	1
377	1	32	LEU	HD11	H	0.896	0.030	2
378	1	32	LEU	HD12	H	0.896	0.030	2
379	1	32	LEU	HD13	H	0.896	0.030	2
380	1	32	LEU	HD21	H	0.859	0.030	2
381	1	32	LEU	HD22	H	0.859	0.030	2
382	1	32	LEU	HD23	H	0.859	0.030	2
383	1	32	LEU	C	C	178.223	0.300	1
384	1	32	LEU	CA	C	58.566	0.300	1
385	1	32	LEU	CB	C	41.700	0.300	1
386	1	32	LEU	CG	C	26.096	0.300	1
387	1	32	LEU	CD1	C	24.037	0.300	2
388	1	32	LEU	CD2	C	23.185	0.300	2
389	1	32	LEU	N	N	117.414	0.300	1
390	1	33	LEU	H	H	8.079	0.030	1
391	1	33	LEU	HA	H	4.270	0.030	1
392	1	33	LEU	HB2	H	1.924	0.030	2
393	1	33	LEU	HB3	H	1.924	0.030	2
394	1	33	LEU	HG	H	1.260	0.030	1
395	1	33	LEU	HD11	H	0.962	0.030	2
396	1	33	LEU	HD12	H	0.962	0.030	2
397	1	33	LEU	HD13	H	0.962	0.030	2
398	1	33	LEU	HD21	H	1.001	0.030	2
399	1	33	LEU	HD22	H	1.001	0.030	2
400	1	33	LEU	HD23	H	1.001	0.030	2
401	1	33	LEU	C	C	178.578	0.300	1
402	1	33	LEU	CA	C	58.596	0.300	1
403	1	33	LEU	CB	C	42.073	0.300	1
404	1	33	LEU	CG	C	26.888	0.300	1
405	1	33	LEU	CD1	C	24.957	0.300	2
406	1	33	LEU	CD2	C	25.174	0.300	2
407	1	33	LEU	N	N	119.158	0.300	1
408	1	34	VAL	H	H	8.433	0.030	1
409	1	34	VAL	HA	H	3.654	0.030	1
410	1	34	VAL	HB	H	2.397	0.030	1
411	1	34	VAL	HG11	H	0.890	0.030	2
412	1	34	VAL	HG12	H	0.890	0.030	2
413	1	34	VAL	HG13	H	0.890	0.030	2
414	1	34	VAL	HG21	H	1.110	0.030	2
415	1	34	VAL	HG22	H	1.110	0.030	2
416	1	34	VAL	HG23	H	1.110	0.030	2
417	1	34	VAL	C	C	177.249	0.300	1
418	1	34	VAL	CA	C	67.088	0.300	1
419	1	34	VAL	CB	C	31.300	0.300	1
420	1	34	VAL	CG1	C	21.609	0.300	2
421	1	34	VAL	CG2	C	23.185	0.300	2
422	1	34	VAL	N	N	118.052	0.300	1
423	1	35	ILE	H	H	8.442	0.030	1
424	1	35	ILE	HA	H	3.625	0.030	1
425	1	35	ILE	HB	H	1.975	0.030	1
426	1	35	ILE	HG12	H	1.632	0.030	2
427	1	35	ILE	HG13	H	1.249	0.030	2
428	1	35	ILE	HG21	H	0.950	0.030	1
429	1	35	ILE	HG22	H	0.950	0.030	1
430	1	35	ILE	HG23	H	0.950	0.030	1
431	1	35	ILE	HD11	H	0.900	0.030	1
432	1	35	ILE	HD12	H	0.900	0.030	1
433	1	35	ILE	HD13	H	0.900	0.030	1
434	1	35	ILE	C	C	176.973	0.300	1
435	1	35	ILE	CA	C	66.011	0.300	1
436	1	35	ILE	CB	C	37.622	0.300	1
437	1	35	ILE	CG1	C	28.493	0.300	1
438	1	35	ILE	CG2	C	17.760	0.300	1
439	1	35	ILE	CD1	C	12.346	0.300	1
440	1	35	ILE	N	N	119.200	0.300	1
441	1	36	TRP	H	H	8.770	0.030	1
442	1	36	TRP	HA	H	4.350	0.030	1
443	1	36	TRP	HB2	H	3.630	0.030	2
444	1	36	TRP	HB3	H	3.393	0.030	2
445	1	36	TRP	HD1	H	7.053	0.030	1
446	1	36	TRP	HE1	H	10.394	0.030	1
447	1	36	TRP	HE3	H	7.486	0.030	1
448	1	36	TRP	HZ2	H	7.441	0.030	1
449	1	36	TRP	HZ3	H	6.891	0.030	1
450	1	36	TRP	HH2	H	7.080	0.030	1
451	1	36	TRP	C	C	177.584	0.300	1
452	1	36	TRP	CA	C	60.748	0.300	1
453	1	36	TRP	CB	C	29.402	0.300	1
454	1	36	TRP	CD1	C	125.620	0.300	1
455	1	36	TRP	CE3	C	120.536	0.300	1
456	1	36	TRP	CZ2	C	114.933	0.300	1
457	1	36	TRP	CZ3	C	120.500	0.300	1
458	1	36	TRP	CH2	C	123.850	0.300	1
459	1	36	TRP	N	N	120.522	0.300	1
460	1	36	TRP	NE1	N	129.189	0.300	1
461	1	37	LYS	H	H	8.421	0.030	1
462	1	37	LYS	HA	H	4.020	0.030	1
463	1	37	LYS	HB2	H	1.879	0.030	2
464	1	37	LYS	HB3	H	2.061	0.030	2
465	1	37	LYS	HG2	H	1.580	0.030	2
466	1	37	LYS	HG3	H	1.580	0.030	2
467	1	37	LYS	HD2	H	1.620	0.030	2
468	1	37	LYS	HD3	H	1.620	0.030	2
469	1	37	LYS	HE2	H	2.844	0.030	2
470	1	37	LYS	HE3	H	2.932	0.030	2
471	1	37	LYS	C	C	178.991	0.300	1
472	1	37	LYS	CA	C	58.567	0.300	1
473	1	37	LYS	CB	C	34.764	0.300	1
474	1	37	LYS	CG	C	24.793	0.300	1
475	1	37	LYS	CD	C	30.034	0.300	1
476	1	37	LYS	CE	C	42.013	0.300	1
477	1	37	LYS	N	N	115.161	0.300	1
478	1	38	ALA	H	H	8.501	0.030	1
479	1	38	ALA	HA	H	4.076	0.030	1
480	1	38	ALA	HB1	H	1.526	0.030	1
481	1	38	ALA	HB2	H	1.526	0.030	1
482	1	38	ALA	HB3	H	1.526	0.030	1
483	1	38	ALA	C	C	178.991	0.300	1
484	1	38	ALA	CA	C	55.525	0.300	1
485	1	38	ALA	CB	C	18.213	0.300	1
486	1	38	ALA	N	N	121.380	0.300	1
487	1	39	LEU	H	H	8.442	0.030	1
488	1	39	LEU	HA	H	4.081	0.030	1
489	1	39	LEU	HB2	H	1.433	0.030	2
490	1	39	LEU	HB3	H	1.990	0.030	2
491	1	39	LEU	HG	H	1.278	0.030	1
492	1	39	LEU	HD11	H	0.886	0.030	2
493	1	39	LEU	HD12	H	0.886	0.030	2
494	1	39	LEU	HD13	H	0.886	0.030	2
495	1	39	LEU	HD21	H	0.840	0.030	2
496	1	39	LEU	HD22	H	0.840	0.030	2
497	1	39	LEU	HD23	H	0.840	0.030	2
498	1	39	LEU	C	C	179.621	0.300	1
499	1	39	LEU	CA	C	57.986	0.300	1
500	1	39	LEU	CB	C	41.613	0.300	1
501	1	39	LEU	CG	C	26.203	0.300	1
502	1	39	LEU	CD1	C	25.923	0.300	2
503	1	39	LEU	CD2	C	23.197	0.300	2
504	1	39	LEU	N	N	117.300	0.300	1
505	1	40	ILE	H	H	8.041	0.030	1
506	1	40	ILE	HA	H	3.717	0.030	1
507	1	40	ILE	HB	H	1.757	0.030	1
508	1	40	ILE	HG12	H	1.112	0.030	2
509	1	40	ILE	HG13	H	0.982	0.030	2
510	1	40	ILE	HG21	H	0.620	0.030	1
511	1	40	ILE	HG22	H	0.620	0.030	1
512	1	40	ILE	HG23	H	0.620	0.030	1
513	1	40	ILE	HD11	H	0.491	0.030	1
514	1	40	ILE	HD12	H	0.491	0.030	1
515	1	40	ILE	HD13	H	0.491	0.030	1
516	1	40	ILE	C	C	178.056	0.300	1
517	1	40	ILE	CA	C	63.787	0.300	1
518	1	40	ILE	CB	C	37.093	0.300	1
519	1	40	ILE	CG1	C	27.530	0.300	1
520	1	40	ILE	CG2	C	17.280	0.300	1
521	1	40	ILE	CD1	C	12.530	0.300	1
522	1	40	ILE	N	N	117.789	0.300	1
523	1	41	HIS	H	H	7.842	0.030	1
524	1	41	HIS	HA	H	4.559	0.030	1
525	1	41	HIS	HB2	H	3.185	0.030	2
526	1	41	HIS	HB3	H	3.425	0.030	2
527	1	41	HIS	HD2	H	7.225	0.030	1
528	1	41	HIS	HE1	H	8.468	0.030	1
529	1	41	HIS	C	C	176.531	0.300	1
530	1	41	HIS	CA	C	58.255	0.300	1
531	1	41	HIS	CB	C	29.014	0.300	1
532	1	41	HIS	CD2	C	120.440	0.300	1
533	1	41	HIS	CE1	C	137.901	0.300	1
534	1	41	HIS	N	N	118.150	0.300	1
535	1	42	LEU	H	H	8.124	0.030	1
536	1	42	LEU	HA	H	4.127	0.030	1
537	1	42	LEU	HB2	H	1.664	0.030	2
538	1	42	LEU	HB3	H	1.782	0.030	2
539	1	42	LEU	HG	H	1.899	0.030	1
540	1	42	LEU	HD11	H	0.905	0.030	2
541	1	42	LEU	HD12	H	0.905	0.030	2
542	1	42	LEU	HD13	H	0.905	0.030	2
543	1	42	LEU	HD21	H	0.905	0.030	2
544	1	42	LEU	HD22	H	0.905	0.030	2
545	1	42	LEU	HD23	H	0.905	0.030	2
546	1	42	LEU	C	C	178.194	0.300	1
547	1	42	LEU	CA	C	57.709	0.300	1
548	1	42	LEU	CB	C	42.032	0.300	1
549	1	42	LEU	CG	C	27.414	0.300	1
550	1	42	LEU	CD1	C	24.950	0.300	2
551	1	42	LEU	CD2	C	24.950	0.300	2
552	1	42	LEU	N	N	119.676	0.300	1
553	1	43	SER	H	H	8.076	0.030	1
554	1	43	SER	HA	H	4.191	0.030	1
555	1	43	SER	HB2	H	3.974	0.030	2
556	1	43	SER	HB3	H	3.974	0.030	2
557	1	43	SER	CA	C	60.900	0.300	1
558	1	43	SER	CB	C	63.500	0.300	1
559	1	43	SER	N	N	113.162	0.300	1
560	1	44	ASP	H	H	7.924	0.030	1
561	1	44	ASP	HA	H	4.589	0.030	1
562	1	44	ASP	HB2	H	2.779	0.030	2
563	1	44	ASP	HB3	H	2.779	0.030	2
564	1	44	ASP	CA	C	55.750	0.300	1
565	1	44	ASP	CB	C	40.998	0.300	1
566	1	44	ASP	N	N	121.054	0.300	1
567	1	45	LEU	H	H	7.909	0.030	1
568	1	45	LEU	HA	H	4.211	0.030	1
569	1	45	LEU	HB2	H	1.830	0.030	2
570	1	45	LEU	HB3	H	1.630	0.030	2
571	1	45	LEU	HG	H	1.737	0.030	1
572	1	45	LEU	HD11	H	0.924	0.030	2
573	1	45	LEU	HD12	H	0.924	0.030	2
574	1	45	LEU	HD13	H	0.924	0.030	2
575	1	45	LEU	HD21	H	0.870	0.030	2
576	1	45	LEU	HD22	H	0.870	0.030	2
577	1	45	LEU	HD23	H	0.870	0.030	2
578	1	45	LEU	C	C	177.987	0.300	1
579	1	45	LEU	CA	C	56.900	0.300	1
580	1	45	LEU	CB	C	41.940	0.300	1
581	1	45	LEU	CG	C	27.465	0.300	1
582	1	45	LEU	CD1	C	25.428	0.300	2
583	1	45	LEU	CD2	C	23.391	0.300	2
584	1	45	LEU	N	N	120.258	0.300	1
585	1	46	ARG	H	H	7.967	0.030	1
586	1	46	ARG	HA	H	4.169	0.030	1
587	1	46	ARG	HB2	H	1.911	0.030	2
588	1	46	ARG	HB3	H	1.911	0.030	2
589	1	46	ARG	HG2	H	1.747	0.030	2
590	1	46	ARG	HG3	H	1.697	0.030	2
591	1	46	ARG	HD2	H	3.166	0.030	2
592	1	46	ARG	HD3	H	3.240	0.030	2
593	1	46	ARG	HE	H	7.455	0.030	1
594	1	46	ARG	C	C	176.973	0.300	1
595	1	46	ARG	CA	C	57.858	0.300	1
596	1	46	ARG	CB	C	30.415	0.300	1
597	1	46	ARG	CG	C	27.519	0.300	1
598	1	46	ARG	CD	C	43.584	0.300	1
599	1	46	ARG	N	N	118.444	0.300	1
600	1	46	ARG	NE	N	84.715	0.300	1
601	1	47	GLU	H	H	8.065	0.030	1
602	1	47	GLU	HA	H	4.144	0.030	1
603	1	47	GLU	HB2	H	2.012	0.030	2
604	1	47	GLU	HB3	H	1.914	0.030	2
605	1	47	GLU	HG2	H	2.239	0.030	2
606	1	47	GLU	HG3	H	2.187	0.030	2
607	1	47	GLU	C	C	176.501	0.300	1
608	1	47	GLU	CA	C	57.925	0.300	1
609	1	47	GLU	CB	C	29.752	0.300	1
610	1	47	GLU	CG	C	35.973	0.300	1
611	1	47	GLU	N	N	118.307	0.300	1
612	1	48	TYR	H	H	7.895	0.030	1
613	1	48	TYR	HA	H	4.478	0.030	1
614	1	48	TYR	HB2	H	3.004	0.030	2
615	1	48	TYR	HB3	H	3.094	0.030	2
616	1	48	TYR	HD1	H	7.118	0.030	3
617	1	48	TYR	HD2	H	7.118	0.030	3
618	1	48	TYR	HE1	H	6.796	0.030	3
619	1	48	TYR	HE2	H	6.796	0.030	3
620	1	48	TYR	C	C	175.576	0.300	1
621	1	48	TYR	CA	C	58.640	0.300	1
622	1	48	TYR	CB	C	38.614	0.300	1
623	1	48	TYR	CD1	C	133.070	0.300	3
624	1	48	TYR	CD2	C	133.070	0.300	3
625	1	48	TYR	CE1	C	118.220	0.300	3
626	1	48	TYR	CE2	C	118.220	0.300	3
627	1	48	TYR	N	N	119.758	0.300	1
628	1	49	ARG	H	H	7.898	0.030	1
629	1	49	ARG	HA	H	4.218	0.030	1
630	1	49	ARG	HB2	H	1.790	0.030	2
631	1	49	ARG	HB3	H	1.693	0.030	2
632	1	49	ARG	HG2	H	1.501	0.030	2
633	1	49	ARG	HG3	H	1.501	0.030	2
634	1	49	ARG	HD2	H	3.143	0.030	2
635	1	49	ARG	HD3	H	3.143	0.030	2
636	1	49	ARG	HE	H	7.295	0.030	1
637	1	49	ARG	C	C	175.379	0.300	1
638	1	49	ARG	CA	C	55.925	0.300	1
639	1	49	ARG	CB	C	30.637	0.300	1
640	1	49	ARG	CG	C	27.106	0.300	1
641	1	49	ARG	CD	C	43.402	0.300	1
642	1	49	ARG	N	N	121.244	0.300	1
643	1	49	ARG	NE	N	84.837	0.300	1
644	1	50	ARG	H	H	8.001	0.030	1
645	1	50	ARG	HA	H	4.214	0.030	1
646	1	50	ARG	HB2	H	1.687	0.030	2
647	1	50	ARG	HB3	H	1.687	0.030	2
648	1	50	ARG	HG2	H	1.465	0.030	2
649	1	50	ARG	HG3	H	1.465	0.030	2
650	1	50	ARG	HD2	H	3.140	0.030	2
651	1	50	ARG	HD3	H	3.140	0.030	2
652	1	50	ARG	HE	H	7.295	0.030	1
653	1	50	ARG	C	C	175.812	0.300	1
654	1	50	ARG	CA	C	56.307	0.300	1
655	1	50	ARG	CB	C	30.821	0.300	1
656	1	50	ARG	CG	C	27.345	0.300	1
657	1	50	ARG	CD	C	43.522	0.300	1
658	1	50	ARG	N	N	120.944	0.300	1
659	1	50	ARG	NE	N	84.839	0.300	1
660	1	51	PHE	H	H	8.241	0.030	1
661	1	51	PHE	HA	H	4.664	0.030	1
662	1	51	PHE	HB2	H	2.978	0.030	2
663	1	51	PHE	HB3	H	3.250	0.030	2
664	1	51	PHE	HD1	H	7.298	0.030	3
665	1	51	PHE	HD2	H	7.298	0.030	3
666	1	51	PHE	HE1	H	7.330	0.030	3
667	1	51	PHE	HE2	H	7.330	0.030	3
668	1	51	PHE	HZ	H	7.258	0.030	1
669	1	51	PHE	C	C	174.562	0.300	1
670	1	51	PHE	CA	C	57.606	0.300	1
671	1	51	PHE	CB	C	39.570	0.300	1
672	1	51	PHE	CD1	C	131.800	0.300	3
673	1	51	PHE	CD2	C	131.800	0.300	3
674	1	51	PHE	CE1	C	131.661	0.300	3
675	1	51	PHE	CE2	C	131.661	0.300	3
676	1	51	PHE	CZ	C	129.826	0.300	1
677	1	51	PHE	N	N	120.889	0.300	1
678	1	52	GLU	H	H	7.793	0.030	1
679	1	52	GLU	HA	H	4.133	0.030	1
680	1	52	GLU	HB2	H	1.890	0.030	2
681	1	52	GLU	HB3	H	2.040	0.030	2
682	1	52	GLU	HG2	H	2.188	0.030	2
683	1	52	GLU	HG3	H	2.188	0.030	2
684	1	52	GLU	CA	C	57.946	0.300	1
685	1	52	GLU	CB	C	31.301	0.300	1
686	1	52	GLU	CG	C	36.420	0.300	1
687	1	52	GLU	N	N	126.254	0.300	1

Release date

2018-06-10

Citation

Intramembrane ionic protein-lipid interaction regulates integrin structure and function
Guo, J., Zhang, Y., Li, H., Chu, H., Wang, Q., Jiang, S., Li, Y., Shen, H., Li, G., Chen, J., Xu, C.
PLoS Biol. (2018), 16, e2006525-e2006525, PubMed 30427828 , DOI 10.1371/journal.pbio.2006525 , Abstract

Related entities 1. Integrin beta-2, : 1 : 2 : 47 entities Detail

Interaction partners 1. Integrin beta-2, : 24 interactors Detail

More details for 24 interactors identified by 14 citations

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.7, Details 0.6 mM [U-13C; U-15N] integrin b2, 20 mM Bis-Tris, 240 mM DHPC, 48 mM POPC, 24 mM POPG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

2 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

3 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

4 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

5 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

6 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

7 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

8 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

9 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	integrin b2	[U-13C; U-15N]	protein	0.6 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	DHPC	natural abundance		240 mM
4	NaN3	natural abundance		0.2 %
5	POPC	natural abundance		48 mM
6	POPG	natural abundance		24 mM
7	Protease inhibitor cocktail	natural abundance		1 %
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_36165_5zaz.nef
Input source #2: Coordindates	5zaz.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--690-----700-------710-------720-------730---------
PVDESRESVAGPNIAAIVGGTVAGIVLIGILLLVIWKALIHLSDLREYRRFE
||||||||||||||||||||||||||||||||||||||||||||||||||||
PVDESRESVAGPNIAAIVGGTVAGIVLIGILLLVIWKALIHLSDLREYRRFE
--------10--------20--------30--------40--------50--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	52	0	0	100.0

Content subtype: combined_36165_5zaz.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	nef_chemical_shift_list_assigned_chemical_shifts_1	Warning	595		100.0 (chain: A, length: 52)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	100 (1)	hbond	55.8 (chain: A, length: 52)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	66 (66)	.	67.3 (chain: A, length: 52)

Assigned chemical shifts

Saveframe: nef_chemical_shift_list_assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 52, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 304
  - ¹³C chemical shifts: 235
  - ¹⁵N chemical shifts: 56
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
693	ARG	NE	84.715
733	ARG	NE	84.715
736	ARG	NE	84.837
737	ARG	NE	84.839

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	305	304	99.7
¹³C chemical shifts	241	235	97.5
¹⁵N chemical shifts	52	52	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	107	107	100.0
¹³C chemical shifts	104	99	95.2
¹⁵N chemical shifts	50	50	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	198	197	99.5
¹³C chemical shifts	137	136	99.3
¹⁵N chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	46	100.0
¹³C chemical shifts	46	46	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	17	100.0
¹³C chemical shifts	16	16	100.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: hbond
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 52, Sequence coverage: 55.8%
- Total number of restraints: 100
- Weight of restraints: 1.0 (100)
- Potential type of restraints: upper-bound-parabolic (100)
- Range of distance target values: 1.8, 3.2 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 52, Sequence coverage: 67.3%
- Total number of restraints: 66
- Total number of restraints per polymer type: 66
- Weight of restraints: 1.0 (66)
- Potential type of restraints: square-well-parabolic (66)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Ca2+, cell adhesion, integrin b2, phospholipids, protein-lipid interaction

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Found 1 Document (1.644 seconds)

BMRB: 36165

Related entities 1. Integrin beta-2, : 1 : 2 : 47 entities Detail

Interaction partners 1. Integrin beta-2, : 24 interactors Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 4 contents Detail