BMRB: 30810

Structure of the integrin aIIb(W968V)b3 transmembrane complex

Authors

Situ, A.J., Kim, J., An, W., Kim, C., Ulmer, T.S.

Assembly

Integrin alpha-IIb, Integrin beta-3

Entity

1. Integrin alpha-IIb, Integrin beta-3, entity 1 (polymer), 43 monomers, 4748.828 Da Detail

GALEERCGIP IWVVLVGVLG GLLLLTILVL AMWKVGFFKR NRP

2. Integrin alpha-IIb, Integrin beta-3, entity 2 (polymer), 44 monomers, 4770.824 Da Detail

GESPKCGPDI LVVLLSVMGA ILLIGLAALL IWKLLITIHD RKEF

Total weight

9519.652 Da

Max. entity weight

4770.824 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 104, ¹³C: 140, ¹⁵N: 72 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	3	LEU	H	H	8.362	0.020	1
2	1	3	LEU	CA	C	55.283	0.3	1
3	1	3	LEU	CB	C	40.655	0.3	1
4	1	3	LEU	N	N	120.618	0.3	1
5	1	4	GLU	H	H	8.292	0.020	1
6	1	4	GLU	CA	C	56.278	0.3	1
7	1	4	GLU	CB	C	29.133	0.3	1
8	1	4	GLU	N	N	121.205	0.3	1
9	1	5	GLU	H	H	8.208	0.020	1
10	1	5	GLU	CA	C	56.356	0.3	1
11	1	5	GLU	CB	C	29.343	0.3	1
12	1	5	GLU	N	N	121.124	0.3	1
13	1	6	ARG	H	H	8.204	0.020	1
14	1	6	ARG	CA	C	56.330	0.3	1
15	1	6	ARG	CB	C	29.395	0.3	1
16	1	6	ARG	N	N	122.713	0.3	1
17	1	8	GLY	H	H	8.198	0.020	1
18	1	8	GLY	CA	C	44.217	0.3	1
19	1	8	GLY	N	N	110.397	0.3	1
20	1	9	ILE	H	H	8.256	0.020	1
21	1	9	ILE	CA	C	56.906	0.3	1
22	1	9	ILE	CB	C	37.356	0.3	1
23	1	9	ILE	N	N	122.243	0.3	1
24	1	10	PRO	CA	C	61.541	0.3	1
25	1	10	PRO	CB	C	31.490	0.3	1
26	1	11	ILE	H	H	8.766	0.020	1
27	1	11	ILE	CA	C	63.165	0.3	1
28	1	11	ILE	CB	C	36.360	0.3	1
29	1	11	ILE	N	N	123.834	0.3	1
30	1	12	TRP	H	H	8.177	0.020	1
31	1	12	TRP	CA	C	59.289	0.3	1
32	1	12	TRP	CB	C	27.510	0.3	1
33	1	12	TRP	N	N	117.797	0.3	1
34	1	13	VAL	H	H	6.572	0.020	1
35	1	13	VAL	HB	H	1.733	0.020	1
36	1	13	VAL	HG11	H	0.634	0.020	1
37	1	13	VAL	HG12	H	0.634	0.020	1
38	1	13	VAL	HG13	H	0.634	0.020	1
39	1	13	VAL	HG21	H	0.976	0.020	1
40	1	13	VAL	HG22	H	0.976	0.020	1
41	1	13	VAL	HG23	H	0.976	0.020	1
42	1	13	VAL	CA	C	65.574	0.3	1
43	1	13	VAL	CB	C	29.866	0.3	1
44	1	13	VAL	N	N	121.495	0.3	1
45	1	14	VAL	H	H	6.923	0.020	1
46	1	14	VAL	CA	C	65.970	0.3	1
47	1	14	VAL	CB	C	30.297	0.3	1
48	1	14	VAL	N	N	118.857	0.3	1
49	1	15	LEU	H	H	7.853	0.020	1
50	1	15	LEU	CA	C	58.029	0.3	1
51	1	15	LEU	CB	C	40.279	0.3	1
52	1	15	LEU	N	N	117.668	0.3	1
53	1	16	VAL	H	H	8.472	0.020	1
54	1	16	VAL	CA	C	66.621	0.3	1
55	1	16	VAL	CB	C	29.971	0.3	1
56	1	16	VAL	N	N	118.414	0.3	1
57	1	17	GLY	H	H	8.263	0.020	1
58	1	17	GLY	HA2	H	3.786	0.020	2
59	1	17	GLY	HA3	H	3.552	0.020	2
60	1	17	GLY	CA	C	47.118	0.3	1
61	1	17	GLY	N	N	108.479	0.3	1
62	1	18	VAL	H	H	8.396	0.020	1
63	1	18	VAL	CA	C	65.816	0.3	1
64	1	18	VAL	CB	C	30.238	0.3	1
65	1	18	VAL	N	N	122.704	0.3	1
66	1	19	LEU	H	H	8.172	0.020	1
67	1	19	LEU	CA	C	57.889	0.3	1
68	1	19	LEU	CB	C	40.342	0.3	1
69	1	19	LEU	N	N	119.294	0.3	1
70	1	20	GLY	H	H	9.083	0.020	1
71	1	20	GLY	CA	C	47.019	0.3	1
72	1	20	GLY	N	N	105.840	0.3	1
73	1	21	GLY	H	H	8.560	0.020	1
74	1	21	GLY	CA	C	47.244	0.3	1
75	1	21	GLY	N	N	109.223	0.3	1
76	1	22	LEU	H	H	8.499	0.020	1
77	1	22	LEU	CA	C	57.378	0.3	1
78	1	22	LEU	CB	C	40.617	0.3	1
79	1	22	LEU	N	N	120.878	0.3	1
80	1	23	LEU	H	H	8.496	0.020	1
81	1	23	LEU	CA	C	58.146	0.3	1
82	1	23	LEU	CB	C	40.454	0.3	1
83	1	23	LEU	N	N	123.099	0.3	1
84	1	24	LEU	H	H	8.127	0.020	1
85	1	24	LEU	CA	C	57.801	0.3	1
86	1	24	LEU	CB	C	40.707	0.3	1
87	1	24	LEU	N	N	118.426	0.3	1
88	1	25	LEU	H	H	8.386	0.020	1
89	1	25	LEU	HA	H	3.948	0.020	1
90	1	25	LEU	HB2	H	1.832	0.020	1
91	1	25	LEU	HB3	H	1.832	0.020	1
92	1	25	LEU	HG	H	1.624	0.020	1
93	1	25	LEU	CA	C	57.168	0.3	1
94	1	25	LEU	CB	C	40.760	0.3	1
95	1	25	LEU	N	N	118.683	0.3	1
96	1	26	THR	H	H	8.062	0.020	1
97	1	26	THR	HG1	H	4.128	0.020	1
98	1	26	THR	CA	C	68.119	0.3	1
99	1	26	THR	CB	C	67.074	0.3	1
100	1	26	THR	N	N	116.689	0.3	1
101	1	27	ILE	H	H	7.670	0.020	1
102	1	27	ILE	CA	C	64.984	0.3	1
103	1	27	ILE	CB	C	36.269	0.3	1
104	1	27	ILE	N	N	120.051	0.3	1
105	1	28	LEU	H	H	7.991	0.020	1
106	1	28	LEU	HB2	H	1.624	0.020	1
107	1	28	LEU	HB3	H	1.624	0.020	1
108	1	28	LEU	CA	C	57.991	0.3	1
109	1	28	LEU	CB	C	40.445	0.3	1
110	1	28	LEU	N	N	119.805	0.3	1
111	1	29	VAL	H	H	8.774	0.020	1
112	1	29	VAL	CA	C	66.813	0.3	1
113	1	29	VAL	CB	C	30.238	0.3	1
114	1	29	VAL	N	N	119.196	0.3	1
115	1	30	LEU	H	H	8.322	0.020	1
116	1	30	LEU	CA	C	58.088	0.3	1
117	1	30	LEU	CB	C	40.655	0.3	1
118	1	30	LEU	N	N	120.898	0.3	1
119	1	31	ALA	H	H	8.318	0.020	1
120	1	31	ALA	CA	C	55.163	0.3	1
121	1	31	ALA	CB	C	17.210	0.3	1
122	1	31	ALA	N	N	121.776	0.3	1
123	1	32	MET	H	H	8.637	0.020	1
124	1	32	MET	CA	C	58.502	0.3	1
125	1	32	MET	CB	C	32.340	0.3	1
126	1	32	MET	N	N	116.395	0.3	1
127	1	33	TRP	H	H	9.280	0.020	1
128	1	33	TRP	CA	C	60.026	0.3	1
129	1	33	TRP	CB	C	27.611	0.3	1
130	1	33	TRP	N	N	122.293	0.3	1
131	1	34	LYS	H	H	8.413	0.020	1
132	1	34	LYS	CA	C	57.940	0.3	1
133	1	34	LYS	CB	C	31.019	0.3	1
134	1	34	LYS	N	N	121.492	0.3	1
135	1	35	VAL	H	H	7.577	0.020	1
136	1	35	VAL	CA	C	61.161	0.3	1
137	1	35	VAL	CB	C	30.530	0.3	1
138	1	35	VAL	N	N	110.015	0.3	1
139	1	36	GLY	H	H	7.534	0.020	1
140	1	36	GLY	CA	C	45.644	0.3	1
141	1	36	GLY	N	N	107.160	0.3	1
142	1	37	PHE	H	H	8.248	0.020	1
143	1	37	PHE	CA	C	61.033	0.3	1
144	1	37	PHE	CB	C	40.550	0.3	1
145	1	37	PHE	N	N	120.961	0.3	1
146	1	38	PHE	H	H	8.455	0.020	1
147	1	38	PHE	HE1	H	7.091	0.020	1
148	1	38	PHE	HE2	H	7.091	0.020	1
149	1	38	PHE	CA	C	57.464	0.3	1
150	1	38	PHE	CB	C	37.769	0.3	1
151	1	38	PHE	N	N	111.983	0.3	1
152	1	39	LYS	H	H	7.078	0.020	1
153	1	39	LYS	CA	C	56.678	0.3	1
154	1	39	LYS	CB	C	31.961	0.3	1
155	1	39	LYS	N	N	120.235	0.3	1
156	1	40	ARG	H	H	8.425	0.020	1
157	1	40	ARG	CA	C	54.386	0.3	1
158	1	40	ARG	CB	C	31.385	0.3	1
159	1	40	ARG	N	N	123.257	0.3	1
160	2	7	GLY	H	H	8.449	0.020	1
161	2	7	GLY	CA	C	46.230	0.3	1
162	2	7	GLY	N	N	110.103	0.3	1
163	2	8	PRO	CA	C	63.688	0.3	1
164	2	8	PRO	CB	C	30.914	0.3	1
165	2	9	ASP	H	H	8.149	0.020	1
166	2	9	ASP	CA	C	55.597	0.3	1
167	2	9	ASP	CB	C	40.445	0.3	1
168	2	9	ASP	N	N	118.879	0.3	1
169	2	10	ILE	H	H	8.248	0.020	1
170	2	10	ILE	CA	C	64.448	0.3	1
171	2	10	ILE	CB	C	36.518	0.3	1
172	2	10	ILE	N	N	121.198	0.3	1
173	2	11	LEU	H	H	8.281	0.020	1
174	2	11	LEU	CA	C	57.639	0.3	1
175	2	11	LEU	CB	C	40.445	0.3	1
176	2	11	LEU	N	N	120.624	0.3	1
177	2	12	VAL	H	H	7.853	0.020	1
178	2	12	VAL	CA	C	66.542	0.3	1
179	2	12	VAL	CB	C	30.603	0.3	1
180	2	12	VAL	N	N	118.330	0.3	1
181	2	13	VAL	H	H	7.923	0.020	1
182	2	13	VAL	CA	C	66.971	0.3	1
183	2	13	VAL	CB	C	30.540	0.3	1
184	2	13	VAL	N	N	122.113	0.3	1
185	2	14	LEU	H	H	8.327	0.020	1
186	2	14	LEU	HA	H	3.759	0.020	1
187	2	14	LEU	HB2	H	2.084	0.020	2
188	2	14	LEU	HB3	H	1.877	0.020	2
189	2	14	LEU	HG	H	1.724	0.020	1
190	2	14	LEU	CA	C	58.818	0.3	1
191	2	14	LEU	CB	C	41.336	0.3	1
192	2	14	LEU	N	N	119.937	0.3	1
193	2	15	LEU	H	H	8.378	0.020	1
194	2	15	LEU	CA	C	57.378	0.3	1
195	2	15	LEU	CB	C	40.864	0.3	1
196	2	15	LEU	N	N	116.034	0.3	1
197	2	16	SER	H	H	8.164	0.020	1
198	2	16	SER	HG	H	4.047	0.020	1
199	2	16	SER	CA	C	63.059	0.3	1
200	2	16	SER	CB	C	62.210	0.3	1
201	2	16	SER	N	N	116.199	0.3	1
202	2	17	VAL	H	H	8.216	0.020	1
203	2	17	VAL	CA	C	66.595	0.3	1
204	2	17	VAL	CB	C	30.914	0.3	1
205	2	17	VAL	N	N	121.542	0.3	1
206	2	18	MET	H	H	7.925	0.020	1
207	2	18	MET	HA	H	3.813	0.020	1
208	2	18	MET	HB3	H	2.228	0.020	1
209	2	18	MET	HG2	H	2.876	0.020	2
210	2	18	MET	HG3	H	2.723	0.020	2
211	2	18	MET	HE1	H	1.895	0.020	1
212	2	18	MET	HE2	H	1.895	0.020	1
213	2	18	MET	HE3	H	1.895	0.020	1
214	2	18	MET	CA	C	59.970	0.3	1
215	2	18	MET	CB	C	33.031	0.3	1
216	2	18	MET	N	N	116.921	0.3	1
217	2	19	GLY	H	H	8.711	0.020	1
218	2	19	GLY	CA	C	46.612	0.3	1
219	2	19	GLY	N	N	104.700	0.3	1
220	2	20	ALA	H	H	8.385	0.020	1
221	2	20	ALA	CA	C	55.267	0.3	1
222	2	20	ALA	CB	C	17.271	0.3	1
223	2	20	ALA	N	N	123.509	0.3	1
224	2	21	ILE	H	H	7.675	0.020	1
225	2	21	ILE	HB	H	1.733	0.020	1
226	2	21	ILE	HG13	H	1.462	0.020	1
227	2	21	ILE	CA	C	63.680	0.3	1
228	2	21	ILE	CB	C	36.112	0.3	1
229	2	21	ILE	N	N	116.398	0.3	1
230	2	22	LEU	H	H	7.798	0.020	1
231	2	22	LEU	CA	C	57.770	0.3	1
232	2	22	LEU	CB	C	41.074	0.3	1
233	2	22	LEU	N	N	118.984	0.3	1
234	2	23	LEU	H	H	8.391	0.020	1
235	2	23	LEU	CA	C	57.820	0.3	1
236	2	23	LEU	CB	C	40.864	0.3	1
237	2	23	LEU	N	N	117.501	0.3	1
238	2	24	ILE	H	H	8.284	0.020	1
239	2	24	ILE	CA	C	64.788	0.3	1
240	2	24	ILE	CB	C	36.425	0.3	1
241	2	24	ILE	N	N	118.489	0.3	1
242	2	25	GLY	H	H	8.329	0.020	1
243	2	25	GLY	CA	C	47.118	0.3	1
244	2	25	GLY	N	N	106.140	0.3	1
245	2	26	LEU	H	H	8.581	0.020	1
246	2	26	LEU	CA	C	57.614	0.3	1
247	2	26	LEU	CB	C	40.742	0.3	1
248	2	26	LEU	N	N	120.913	0.3	1
249	2	27	ALA	H	H	8.498	0.020	1
250	2	27	ALA	CA	C	55.298	0.3	1
251	2	27	ALA	CB	C	16.833	0.3	1
252	2	27	ALA	N	N	120.458	0.3	1
253	2	28	ALA	H	H	8.236	0.020	1
254	2	28	ALA	CA	C	55.267	0.3	1
255	2	28	ALA	CB	C	17.021	0.3	1
256	2	28	ALA	N	N	118.670	0.3	1
257	2	29	LEU	H	H	8.039	0.020	1
258	2	29	LEU	CA	C	57.976	0.3	1
259	2	29	LEU	CB	C	41.073	0.3	1
260	2	29	LEU	N	N	117.186	0.3	1
261	2	30	LEU	H	H	8.461	0.020	1
262	2	30	LEU	CA	C	57.849	0.3	1
263	2	30	LEU	CB	C	40.445	0.3	1
264	2	30	LEU	N	N	118.986	0.3	1
265	2	31	ILE	H	H	8.534	0.020	1
266	2	31	ILE	CA	C	65.078	0.3	1
267	2	31	ILE	CB	C	36.112	0.3	1
268	2	31	ILE	N	N	119.811	0.3	1
269	2	32	TRP	H	H	8.574	0.020	1
270	2	32	TRP	CA	C	62.117	0.3	1
271	2	32	TRP	CB	C	27.667	0.3	1
272	2	32	TRP	N	N	120.832	0.3	1
273	2	33	LYS	H	H	8.288	0.020	1
274	2	33	LYS	CA	C	56.472	0.3	1
275	2	33	LYS	CB	C	31.280	0.3	1
276	2	33	LYS	N	N	117.703	0.3	1
277	2	34	LEU	H	H	8.448	0.020	1
278	2	34	LEU	CA	C	58.084	0.3	1
279	2	34	LEU	CB	C	40.930	0.3	1
280	2	34	LEU	N	N	122.578	0.3	1
281	2	35	LEU	H	H	8.265	0.020	1
282	2	35	LEU	CA	C	57.639	0.3	1
283	2	35	LEU	CB	C	40.445	0.3	1
284	2	35	LEU	N	N	118.098	0.3	1
285	2	36	ILE	H	H	8.394	0.020	1
286	2	36	ILE	CA	C	62.091	0.3	1
287	2	36	ILE	CB	C	36.151	0.3	1
288	2	36	ILE	N	N	118.411	0.3	1
289	2	37	THR	H	H	7.511	0.020	1
290	2	37	THR	CA	C	66.333	0.3	1
291	2	37	THR	CB	C	68.030	0.3	1
292	2	37	THR	N	N	118.258	0.3	1
293	2	38	ILE	H	H	7.683	0.020	1
294	2	38	ILE	CA	C	64.268	0.3	1
295	2	38	ILE	CB	C	36.948	0.3	1
296	2	38	ILE	N	N	120.401	0.3	1
297	2	39	HIS	H	H	8.100	0.020	1
298	2	39	HIS	CA	C	55.992	0.3	1
299	2	39	HIS	CB	C	29.429	0.3	1
300	2	39	HIS	N	N	119.703	0.3	1
301	2	41	ARG	H	H	7.544	0.020	1
302	2	41	ARG	CA	C	56.173	0.3	1
303	2	41	ARG	CB	C	29.395	0.3	1
304	2	41	ARG	N	N	119.603	0.3	1
305	2	42	LYS	H	H	7.792	0.020	1
306	2	42	LYS	CA	C	56.199	0.3	1
307	2	42	LYS	CB	C	31.647	0.3	1
308	2	42	LYS	N	N	120.885	0.3	1
309	2	43	GLU	H	H	8.029	0.020	1
310	2	43	GLU	CA	C	56.042	0.3	1
311	2	43	GLU	CB	C	29.552	0.3	1
312	2	43	GLU	N	N	121.182	0.3	1
313	2	44	PHE	H	H	7.555	0.020	1
314	2	44	PHE	CA	C	58.635	0.3	1
315	2	44	PHE	CB	C	39.555	0.3	1
316	2	44	PHE	N	N	125.210	0.3	1

Release date

2020-11-23

Citation

Insight Into Pathological Integrin αIIbβ3 Activation From Safeguarding The Inactive State
Situ, A.J., Kim, J., An, W., Kim, C., Ulmer, T.S.
J. Mol. Biol. (2021), 433, 166832-166832, PubMed 33539882 , DOI 10.1016/j.jmb.2021.166832 , Abstract

Related entities 1. Integrin alpha-IIb, Integrin beta-3, entity 1, : 1 : 57 entities Detail

Related entities 2. Integrin alpha-IIb, Integrin beta-3, entity 2, : 1 : 1 : 58 entities Detail

Interaction partners 2. Integrin alpha-IIb, Integrin beta-3, entity 2, : 5 interactors Detail

Experiments performed 3 experiments Detail