BMRBj - BMREntryMaster

Found 1 Document (1.367 seconds)

BMRB: 36284

6KR8

Structure of the beta2 adrenergic receptor in the full agonist bound state

Authors

Imai, S., Shimada, I.

Assembly

beta 2 adrenergic receptor

Entity

1. beta 2 adrenergic receptor (polymer, Thiol state: free and disulfide bound), 336 monomers, 38509.59 Da Detail

GTQQRDEVWV VGMGIVMSLI VLAIVFGNVL VITAICKFER LQTVTNYFIT SLAVADLVMG LAVVPFGAAH ILTKTWTFGN FWCEFWTSID VLCVTASIWT LCVIAVDRYF AICSPFKYQS LLTKCKARVI ILMVWIVSGL TSFLPIQMHW YRATHQEAIN CYAEETCCDF FTNQAYAIAS SIVSFYVPLV IMVFVYSRVF QEAKRQLQKI DKSEGRFHVQ NVSQVEQDGR TGHGHRRSSK FACKEHKALK TLGIIMGTFT LCWLPFFIVN IVHVIQDNLI RKEVYILLNW IGYVNSGFNP LIYSRSPDFR CAFQELLAAR RSSVKAHHHH HHHHHH

Formula weight

38509.59 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS83:SG	1:CYS168:SG
2	disulfide	sing	1:CYS161:SG	1:CYS167:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 8.6 %, Completeness: 3.1 %, Completeness (bb): 5.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	3.1 % (76 of 2432)	2.4 % (50 of 2068)	7.1 % (26 of 364)
Backbone	5.5 % (56 of 1010)	4.4 % (30 of 681)	7.9 % (26 of 329)
Sidechain	1.4 % (20 of 1422)	1.4 % (20 of 1387)	0.0 % (0 of 35)
Aromatic	0.0 % (0 of 258)	0.0 % (0 of 249)	0.0 % (0 of 9)
Methyl	4.4 % (10 of 226)	4.4 % (10 of 226)

1. entity 1

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (A59C-MTSL), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance	buffer	20 (±1.0) mM
2	beta 2 adrenergic receptor (A59C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
3	H2O	natural abundance	solvent	95 %
4	D2O	[U-2H]	solvent	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (I334C-MTSL), 1 mM ascorbate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
5	HEPES	natural abundance		20 (±1.0) mM
6	ascorbate	natural abundance		1 (±0.1) mM
7	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

Sample #3

#	Name	Isotope labeling	Type	Concentration
10	HEPES	natural abundance		20 (±1.0) mM
11	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
12	H2O	natural abundance	solvent	95 %
13	D2O	[U-2H]	solvent	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (A59C-MTSL), 1 mM ascorbate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
14	HEPES	natural abundance		20 (±1.0) mM
15	ascorbate	natural abundance		1 (±0.1) mM
16	beta 2 adrenergic receptor (A59C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
17	H2O	natural abundance	solvent	95 %
18	D2O	[U-2H]	solvent	5 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (T136C-MTSL), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
19	HEPES	natural abundance		20 (±1.0) mM
20	beta 2 adrenergic receptor (T136C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
21	H2O	natural abundance	solvent	95 %
22	D2O	[U-2H]	solvent	5 %

Sample #6

#	Name	Isotope labeling	Type	Concentration
23	HEPES	natural abundance		20 (±1.0) mM
24	ascorbate	natural abundance		1 (±0.1) mM
25	beta 2 adrenergic receptor (T136C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
26	H2O	natural abundance	solvent	95 %
27	D2O	[U-2H]	solvent	5 %

Sample #7

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (N148C-MTSL), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
28	HEPES	natural abundance		20 (±1.0) mM
29	beta 2 adrenergic receptor (N148C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
30	H2O	natural abundance	solvent	95 %
31	D2O	[U-2H]	solvent	5 %

Sample #8

#	Name	Isotope labeling	Type	Concentration
32	HEPES	natural abundance		20 (±1.0) mM
33	ascorbate	natural abundance		1 (±0.1) mM
34	beta 2 adrenergic receptor (N148C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
35	H2O	natural abundance	solvent	95 %
36	D2O	[U-2H]	solvent	5 %

Sample #9

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (L266C-MTSL), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
37	HEPES	natural abundance		20 (±1.0) mM
38	beta 2 adrenergic receptor (L266C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
39	H2O	natural abundance	solvent	95 %
40	D2O	[U-2H]	solvent	5 %

Sample #10

#	Name	Isotope labeling	Type	Concentration
41	HEPES	natural abundance		20 (±1.0) mM
42	ascorbate	natural abundance		1 (±0.1) mM
43	beta 2 adrenergic receptor (L266C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
44	H2O	natural abundance	solvent	95 %
45	D2O	[U-2H]	solvent	5 %

Sample #11

#	Name	Isotope labeling	Type	Concentration
46	HEPES	natural abundance		20 (±1.0) mM
47	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
48	H2O	natural abundance	solvent	95 %
49	D2O	[U-2H]	solvent	5 %

Protein Blocks Logo

Calculated from 10 models in PDB: 6KR8, Strand ID: A Detail

Release date

2020-02-12

Citation

Structural equilibrium underlying ligand-dependent activation of β₂-adrenoreceptor
Imai, S., Yokomizo, T., Kofuku, Y., Shiraishi, Y., Ueda, T., Shimada, I.
Nat. Chem. Biol. (2020), 16, 430-439, PubMed 31959965 , DOI 10.1038/s41589-019-0457-5 , Abstract

Related entities 1. beta 2 adrenergic receptor, : 1 : 297 entities Detail

Interaction partners 1. beta 2 adrenergic receptor, : 16 interactors Detail

More details for 16 interactors identified by 13 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 20 mM HEPES, 100 uM [2,3,3-2H,15N]-Leu beta 2 adrenergic receptor (A59C-MTSL), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance	buffer	20 (±1.0) mM
2	beta 2 adrenergic receptor (A59C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
3	H2O	natural abundance	solvent	95 %
4	D2O	[U-2H]	solvent	5 %

2 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
14	HEPES	natural abundance		20 (±1.0) mM
15	ascorbate	natural abundance		1 (±0.1) mM
16	beta 2 adrenergic receptor (A59C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
17	H2O	natural abundance	solvent	95 %
18	D2O	[U-2H]	solvent	5 %

3 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
19	HEPES	natural abundance		20 (±1.0) mM
20	beta 2 adrenergic receptor (T136C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
21	H2O	natural abundance	solvent	95 %
22	D2O	[U-2H]	solvent	5 %

4 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
23	HEPES	natural abundance		20 (±1.0) mM
24	ascorbate	natural abundance		1 (±0.1) mM
25	beta 2 adrenergic receptor (T136C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
26	H2O	natural abundance	solvent	95 %
27	D2O	[U-2H]	solvent	5 %

5 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
28	HEPES	natural abundance		20 (±1.0) mM
29	beta 2 adrenergic receptor (N148C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
30	H2O	natural abundance	solvent	95 %
31	D2O	[U-2H]	solvent	5 %

6 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
32	HEPES	natural abundance		20 (±1.0) mM
33	ascorbate	natural abundance		1 (±0.1) mM
34	beta 2 adrenergic receptor (N148C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
35	H2O	natural abundance	solvent	95 %
36	D2O	[U-2H]	solvent	5 %

7 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
37	HEPES	natural abundance		20 (±1.0) mM
38	beta 2 adrenergic receptor (L266C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
39	H2O	natural abundance	solvent	95 %
40	D2O	[U-2H]	solvent	5 %

8 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
41	HEPES	natural abundance		20 (±1.0) mM
42	ascorbate	natural abundance		1 (±0.1) mM
43	beta 2 adrenergic receptor (L266C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
44	H2O	natural abundance	solvent	95 %
45	D2O	[U-2H]	solvent	5 %

9 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
46	HEPES	natural abundance		20 (±1.0) mM
47	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
48	H2O	natural abundance	solvent	95 %
49	D2O	[U-2H]	solvent	5 %

10 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
5	HEPES	natural abundance		20 (±1.0) mM
6	ascorbate	natural abundance		1 (±0.1) mM
7	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
8	H2O	natural abundance	solvent	95 %
9	D2O	[U-2H]	solvent	5 %

11 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
10	HEPES	natural abundance		20 (±1.0) mM
11	beta 2 adrenergic receptor (I334C-MTSL)	[2,3,3-2H,15N]-Leu	protein	100 (±10.0) uM
12	H2O	natural abundance	solvent	95 %
13	D2O	[U-2H]	solvent	5 %

nullKeywords G-protein coupled receptor, MEMBRANE PROTEIN, b2AR, full agonist

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Found 1 Document (1.367 seconds)

BMRB: 36284

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Sample #11

Related entities 1. beta 2 adrenergic receptor, : 1 : 297 entities Detail

Interaction partners 1. beta 2 adrenergic receptor, : 16 interactors Detail

Experiments performed 11 experiments Detail

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