Structure of the beta2 adrenergic receptor in the full agonist bound state
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
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 |
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
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 HHHHHHSolvent 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 % |
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 % |
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), 95% H2O/5% D2O
# | 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 % |
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 % |
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 % |
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), 1 mM ascorbate, 95% H2O/5% D2O
# | 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 % |
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 % |
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), 1 mM ascorbate, 95% H2O/5% D2O
# | 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 % |
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 % |
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), 1 mM ascorbate, 95% H2O/5% D2O
# | 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 % |
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), 95% H2O/5% D2O
# | 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 % |