BMRBj - BMREntryMaster

Found 1 Document (1.204 seconds)

BMRB: 31214

5ZAZ

Structure of the human integrin beta2 transmembrane domain

Authors

Ulmer, T.S., Vu, H.N., Situ, A.J.

Assembly

Integrin beta-2

Entity

1. Integrin beta-2 (polymer, Thiol state: not present), 43 monomers, 4426.247 Da Detail

GESVAGPNIA AIVGGTVAGI VLIGILLLVI WKALIHLSDL REY

Formula weight

4426.247 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 39, ¹³C: 110, ¹⁵N: 39 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	3	SER	H	H	8.393	0.020	1
2	1	3	SER	C	C	174.422	0.3	1
3	1	3	SER	CA	C	57.778	0.3	1
4	1	3	SER	CB	C	63.489	0.3	1
5	1	3	SER	N	N	117.633	0.3	1
6	1	4	VAL	H	H	8.132	0.020	1
7	1	4	VAL	C	C	175.513	0.3	1
8	1	4	VAL	CA	C	61.536	0.3	1
9	1	4	VAL	CB	C	31.808	0.3	1
10	1	4	VAL	N	N	122.109	0.3	1
11	1	5	ALA	H	H	8.241	0.020	1
12	1	5	ALA	C	C	177.606	0.3	1
13	1	5	ALA	CA	C	51.844	0.3	1
14	1	5	ALA	CB	C	18.746	0.3	1
15	1	5	ALA	N	N	127.397	0.3	1
16	1	6	GLY	H	H	8.102	0.020	1
17	1	6	GLY	C	C	171.992	0.3	1
18	1	6	GLY	CA	C	44.390	0.3	1
19	1	6	GLY	N	N	108.216	0.3	1
20	1	8	ASN	H	H	8.463	0.020	1
21	1	8	ASN	C	C	175.926	0.3	1
22	1	8	ASN	CA	C	52.640	0.3	1
23	1	8	ASN	CB	C	37.540	0.3	1
24	1	8	ASN	N	N	119.329	0.3	1
25	1	9	ILE	H	H	8.183	0.020	1
26	1	9	ILE	C	C	177.038	0.3	1
27	1	9	ILE	CA	C	63.065	0.3	1
28	1	9	ILE	CB	C	36.375	0.3	1
29	1	9	ILE	N	N	122.789	0.3	1
30	1	10	ALA	H	H	8.400	0.020	1
31	1	10	ALA	C	C	179.468	0.3	1
32	1	10	ALA	CA	C	55.105	0.3	1
33	1	10	ALA	CB	C	17.227	0.3	1
34	1	10	ALA	N	N	123.011	0.3	1
35	1	11	ALA	H	H	7.711	0.020	1
36	1	11	ALA	C	C	179.743	0.3	1
37	1	11	ALA	CA	C	54.260	0.3	1
38	1	11	ALA	CB	C	17.531	0.3	1
39	1	11	ALA	N	N	119.462	0.3	1
40	1	12	ILE	H	H	7.813	0.020	1
41	1	12	ILE	C	C	178.944	0.3	1
42	1	12	ILE	CA	C	64.132	0.3	1
43	1	12	ILE	CB	C	37.062	0.3	1
44	1	12	ILE	N	N	118.048	0.3	1
45	1	13	VAL	H	H	8.685	0.020	1
46	1	13	VAL	C	C	177.573	0.3	1
47	1	13	VAL	CA	C	66.439	0.3	1
48	1	13	VAL	CB	C	30.424	0.3	1
49	1	13	VAL	N	N	121.754	0.3	1
50	1	14	GLY	H	H	8.661	0.020	1
51	1	14	GLY	C	C	175.171	0.3	1
52	1	14	GLY	CA	C	47.145	0.3	1
53	1	14	GLY	N	N	107.234	0.3	1
54	1	15	GLY	H	H	8.557	0.020	1
55	1	15	GLY	C	C	174.687	0.3	1
56	1	15	GLY	CA	C	46.814	0.3	1
57	1	15	GLY	N	N	108.243	0.3	1
58	1	16	THR	H	H	7.931	0.020	1
59	1	16	THR	CA	C	67.486	0.3	1
60	1	16	THR	N	N	118.795	0.3	1
61	1	17	VAL	H	H	8.230	0.020	1
62	1	17	VAL	C	C	177.083	0.3	1
63	1	17	VAL	CA	C	66.771	0.3	1
64	1	17	VAL	CB	C	30.222	0.3	1
65	1	17	VAL	N	N	120.256	0.3	1
66	1	18	ALA	H	H	8.269	0.020	1
67	1	18	ALA	C	C	178.867	0.3	1
68	1	18	ALA	CA	C	55.055	0.3	1
69	1	18	ALA	CB	C	17.205	0.3	1
70	1	18	ALA	N	N	120.137	0.3	1
71	1	19	GLY	H	H	8.350	0.020	1
72	1	19	GLY	C	C	174.389	0.3	1
73	1	19	GLY	CA	C	47.053	0.3	1
74	1	19	GLY	N	N	104.289	0.3	1
75	1	20	ILE	H	H	8.187	0.020	1
76	1	20	ILE	C	C	177.457	0.3	1
77	1	20	ILE	CA	C	64.939	0.3	1
78	1	20	ILE	CB	C	36.500	0.3	1
79	1	20	ILE	N	N	121.242	0.3	1
80	1	21	VAL	H	H	8.146	0.020	1
81	1	21	VAL	C	C	177.253	0.3	1
82	1	21	VAL	CA	C	66.549	0.3	1
83	1	21	VAL	CB	C	30.120	0.3	1
84	1	21	VAL	N	N	119.308	0.3	1
85	1	22	LEU	H	H	8.281	0.020	1
86	1	22	LEU	C	C	178.349	0.3	1
87	1	22	LEU	CA	C	58.148	0.3	1
88	1	22	LEU	CB	C	40.609	0.3	1
89	1	22	LEU	N	N	118.885	0.3	1
90	1	23	ILE	H	H	8.215	0.020	1
91	1	23	ILE	C	C	177.501	0.3	1
92	1	23	ILE	CA	C	64.485	0.3	1
93	1	23	ILE	CB	C	35.920	0.3	1
94	1	23	ILE	N	N	118.011	0.3	1
95	1	24	GLY	H	H	8.476	0.020	1
96	1	24	GLY	C	C	174.477	0.3	1
97	1	24	GLY	CA	C	47.461	0.3	1
98	1	24	GLY	N	N	107.797	0.3	1
99	1	25	ILE	H	H	8.415	0.020	1
100	1	25	ILE	C	C	177.281	0.3	1
101	1	25	ILE	CA	C	64.922	0.3	1
102	1	25	ILE	CB	C	36.432	0.3	1
103	1	25	ILE	N	N	120.293	0.3	1
104	1	26	LEU	H	H	8.165	0.020	1
105	1	26	LEU	C	C	178.404	0.3	1
106	1	26	LEU	CA	C	57.911	0.3	1
107	1	26	LEU	CB	C	40.229	0.3	1
108	1	26	LEU	N	N	119.769	0.3	1
109	1	28	LEU	H	H	7.981	0.020	1
110	1	28	LEU	C	C	178.658	0.3	1
111	1	28	LEU	CA	C	57.911	0.3	1
112	1	28	LEU	CB	C	40.782	0.3	1
113	1	28	LEU	N	N	119.416	0.3	1
114	1	29	VAL	H	H	8.324	0.020	1
115	1	29	VAL	C	C	177.683	0.3	1
116	1	29	VAL	CA	C	66.436	0.3	1
117	1	29	VAL	CB	C	30.432	0.3	1
118	1	29	VAL	N	N	118.445	0.3	1
119	1	30	ILE	H	H	8.325	0.020	1
120	1	30	ILE	C	C	177.027	0.3	1
121	1	30	ILE	CA	C	65.197	0.3	1
122	1	30	ILE	CB	C	36.583	0.3	1
123	1	30	ILE	N	N	119.684	0.3	1
124	1	31	TRP	H	H	8.681	0.020	1
125	1	31	TRP	C	C	177.303	0.3	1
126	1	31	TRP	CA	C	60.165	0.3	1
127	1	31	TRP	CB	C	28.770	0.3	1
128	1	31	TRP	N	N	121.022	0.3	1
129	1	32	LYS	H	H	8.334	0.020	1
130	1	32	LYS	C	C	178.939	0.3	1
131	1	32	LYS	CA	C	57.969	0.3	1
132	1	32	LYS	CB	C	30.916	0.3	1
133	1	32	LYS	N	N	115.795	0.3	1
134	1	33	ALA	H	H	8.348	0.020	1
135	1	33	ALA	C	C	179.093	0.3	1
136	1	33	ALA	CA	C	54.664	0.3	1
137	1	33	ALA	CB	C	17.589	0.3	1
138	1	33	ALA	N	N	121.533	0.3	1
139	1	34	LEU	H	H	8.321	0.020	1
140	1	34	LEU	C	C	179.528	0.3	1
141	1	34	LEU	CA	C	57.375	0.3	1
142	1	34	LEU	CB	C	40.482	0.3	1
143	1	34	LEU	N	N	117.760	0.3	1
144	1	35	ILE	H	H	7.950	0.020	1
145	1	35	ILE	C	C	178.107	0.3	1
146	1	35	ILE	CA	C	63.065	0.3	1
147	1	35	ILE	CB	C	36.061	0.3	1
148	1	35	ILE	N	N	118.296	0.3	1
149	1	36	HIS	H	H	7.781	0.020	1
150	1	36	HIS	C	C	176.405	0.3	1
151	1	36	HIS	CA	C	57.625	0.3	1
152	1	36	HIS	CB	C	28.276	0.3	1
153	1	36	HIS	N	N	118.963	0.3	1
154	1	37	LEU	H	H	8.008	0.020	1
155	1	37	LEU	C	C	177.953	0.3	1
156	1	37	LEU	CA	C	56.647	0.3	1
157	1	37	LEU	CB	C	41.009	0.3	1
158	1	37	LEU	N	N	119.669	0.3	1
159	1	38	SER	H	H	7.807	0.020	1
160	1	38	SER	C	C	174.747	0.3	1
161	1	38	SER	CA	C	59.677	0.3	1
162	1	38	SER	CB	C	63.186	0.3	1
163	1	38	SER	N	N	113.300	0.3	1
164	1	39	ASP	H	H	7.763	0.020	1
165	1	39	ASP	C	C	176.366	0.3	1
166	1	39	ASP	CA	C	54.485	0.3	1
167	1	39	ASP	CB	C	40.119	0.3	1
168	1	39	ASP	N	N	121.311	0.3	1
169	1	40	LEU	H	H	7.698	0.020	1
170	1	40	LEU	C	C	177.016	0.3	1
171	1	40	LEU	CA	C	54.980	0.3	1
172	1	40	LEU	CB	C	40.835	0.3	1
173	1	40	LEU	N	N	120.958	0.3	1
174	1	41	ARG	H	H	7.846	0.020	1
175	1	41	ARG	C	C	175.733	0.3	1
176	1	41	ARG	CA	C	55.603	0.3	1
177	1	41	ARG	CB	C	29.873	0.3	1
178	1	41	ARG	N	N	120.029	0.3	1
179	1	42	GLU	H	H	8.063	0.020	1
180	1	42	GLU	C	C	174.930	0.3	1
181	1	42	GLU	CA	C	55.876	0.3	1
182	1	42	GLU	CB	C	29.405	0.3	1
183	1	42	GLU	N	N	120.981	0.3	1
184	1	43	TYR	H	H	7.508	0.020	1
185	1	43	TYR	C	C	179.952	0.3	1
186	1	43	TYR	CA	C	58.770	0.3	1
187	1	43	TYR	CB	C	38.795	0.3	1
188	1	43	TYR	N	N	125.579	0.3	1

Release date

2025-01-29

Citation

Transmembrane Helix Destabilization Regulates Integrin alphaXbeta2 Signaling
Ulmer, T.S., Vu, H.N., Situ, A.J.

Related entities 1. Integrin beta-2, : 1 : 2 : 76 entities Detail

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

More details for 24 interactors identified by 14 citations

Experiments performed 5 experiments Detail

1 3D HNCA

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313.2 K, pH 7.4, Details 1.2 mM [U-100% 13C; U-100% 15N; U-80% 2H] alphaX peptide, 350 mM 1,2-dihexanoyl-sn-glycero-3-phosphoholine, 105 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 25 mM HEPES, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	alphaX peptide	[U-100% 13C; U-100% 15N; U-80% 2H]	1.2 mM
2	1,2-dihexanoyl-sn-glycero-3-phosphoholine	none	350 mM
3	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	none	105 mM
4	HEPES	none	25 mM

2 3D HNCACB

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	alphaX peptide	[U-100% 13C; U-100% 15N; U-80% 2H]	1.2 mM
2	1,2-dihexanoyl-sn-glycero-3-phosphoholine	none	350 mM
3	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	none	105 mM
4	HEPES	none	25 mM

3 3D HNCO

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	alphaX peptide	[U-100% 13C; U-100% 15N; U-80% 2H]	1.2 mM
2	1,2-dihexanoyl-sn-glycero-3-phosphoholine	none	350 mM
3	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	none	105 mM
4	HEPES	none	25 mM

4 3D HN(CA)CO

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	alphaX peptide	[U-100% 13C; U-100% 15N; U-80% 2H]	1.2 mM
2	1,2-dihexanoyl-sn-glycero-3-phosphoholine	none	350 mM
3	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	none	105 mM
4	HEPES	none	25 mM

5 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	alphaX peptide	[U-100% 13C; U-100% 15N; U-80% 2H]	1.2 mM
2	1,2-dihexanoyl-sn-glycero-3-phosphoholine	none	350 mM
3	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	none	105 mM
4	HEPES	none	25 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31214_3.str
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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr31214_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	188		90.7 (chain: 1, length: 43)
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: 43, Sequence coverage: 90.7%
- Total number of assignments
  - ¹H chemical shifts: 39
  - ¹³C chemical shifts: 110
  - ¹⁵N chemical shifts: 39
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	240	39	16.3
¹³C chemical shifts	196	110	56.1
¹⁵N chemical shifts	44	39	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	91	39	42.9
¹³C chemical shifts	86	77	89.5
¹⁵N chemical shifts	42	39	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	149	0	0.0
¹³C chemical shifts	110	33	30.0
¹⁵N chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	0	0.0
¹³C chemical shifts	44	5	11.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	0	0.0
¹³C chemical shifts	11	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords Integrin, cell adhesion, receptor

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Found 1 Document (1.204 seconds)

BMRB: 31214

Related entities 1. Integrin beta-2, : 1 : 2 : 76 entities Detail

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

Experiments performed 5 experiments Detail

Instrument

Sample

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Sample

Instrument

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Instrument

Sample

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Chemical shift validation 3 contents Detail