|Entry||Database: PDB / ID: 3ny9|
|Title||Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist|
|Components||Beta-2 adrenergic receptor, Lysozyme|
|Keywords||MEMBRANE PROTEIN / G Protein-coupled receptor / Lysozyme / Fusion / Transducer / Adrenergic / G-Proteins / Arrestins / Adrenalin / Compound 2 / Glycosylation / Palmitoylation / Phosphorylation / HYDROLASE / Structural Genomics / PSI-2 / Protein Structure Initiative / Accelerated Technologies Center for Gene to 3D Structure / ATCG3D / GPCR Network / GPCR|
|Function / homology|
Function and homology information
beta2-adrenergic receptor activity / desensitization of G protein-coupled receptor signaling pathway by arrestin / positive regulation of mini excitatory postsynaptic potential / norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure / positive regulation of cAMP-dependent protein kinase activity / Adrenoceptors / norepinephrine binding / positive regulation of autophagosome maturation / heat generation / activation of transmembrane receptor protein tyrosine kinase activity ...beta2-adrenergic receptor activity / desensitization of G protein-coupled receptor signaling pathway by arrestin / positive regulation of mini excitatory postsynaptic potential / norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure / positive regulation of cAMP-dependent protein kinase activity / Adrenoceptors / norepinephrine binding / positive regulation of autophagosome maturation / heat generation / activation of transmembrane receptor protein tyrosine kinase activity / positive regulation of lipophagy / negative regulation of smooth muscle contraction / response to psychosocial stress / negative regulation of multicellular organism growth / positive regulation of AMPA receptor activity / adrenergic receptor signaling pathway / diet induced thermogenesis / endosome to lysosome transport / brown fat cell differentiation / adenylate cyclase-activating adrenergic receptor signaling pathway / positive regulation of protein kinase A signaling / potassium channel regulator activity / adenylate cyclase binding / positive regulation of bone mineralization / bone resorption / regulation of sodium ion transport / activation of adenylate cyclase activity / receptor-mediated endocytosis / response to cold / G protein-coupled receptor activity / viral release from host cell by cytolysis / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / ADORA2B mediated anti-inflammatory cytokines production / positive regulation of protein serine/threonine kinase activity / peptidoglycan catabolic process / clathrin-coated endocytic vesicle membrane / G alpha (s) signalling events / cellular response to amyloid-beta / positive regulation of cold-induced thermogenesis / Cargo recognition for clathrin-mediated endocytosis / Clathrin-mediated endocytosis / cell wall macromolecule catabolic process / amyloid-beta binding / lysozyme / lysozyme activity / cytolysis / positive regulation of MAPK cascade / lysosome / apical plasma membrane / cell surface receptor signaling pathway / endosome membrane / early endosome / Ub-specific processing proteases / receptor complex / endosome / host cell cytoplasm / defense response to bacterium / protein-containing complex binding / Golgi apparatus / integral component of plasma membrane / positive regulation of transcription by RNA polymerase II / protein homodimerization activity / membrane / identical protein binding / plasma membrane / nucleus
Similarity search - Function
Beta 2 adrenoceptor / Adrenoceptor family / Rhodopsin 7-helix transmembrane proteins / Rhopdopsin 7-helix transmembrane proteins / Serpentine type 7TM GPCR chemoreceptor Srsx / Lysozyme - #40 / Endolysin T4 type / T4-type lysozyme / Lysozyme domain superfamily / Glycoside hydrolase, family 24 ...Beta 2 adrenoceptor / Adrenoceptor family / Rhodopsin 7-helix transmembrane proteins / Rhopdopsin 7-helix transmembrane proteins / Serpentine type 7TM GPCR chemoreceptor Srsx / Lysozyme - #40 / Endolysin T4 type / T4-type lysozyme / Lysozyme domain superfamily / Glycoside hydrolase, family 24 / Phage lysozyme / G-protein coupled receptors family 1 signature. / 7 transmembrane receptor (rhodopsin family) / G-protein coupled receptors family 1 profile. / GPCR, rhodopsin-like, 7TM / G protein-coupled receptor, rhodopsin-like / Lysozyme / Lysozyme-like domain superfamily / Up-down Bundle / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Endolysin / CHOLESTEROL / Chem-JSZ / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / Beta-2 adrenergic receptor
Similarity search - Component
|Biological species||Homo sapiens (human)|
Enterobacteria phage T4 (bacteriophage)
|Method||X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.84 Å|
|Authors||Fenalti, G. / Wacker, D. / Brown, M.A. / Katritch, V. / Abagyan, R. / Cherezov, V. / Stevens, R.C. / Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) / GPCR Network (GPCR)|
|Citation||Journal: J.Am.Chem.Soc. / Year: 2010|
Title: Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
Authors: Wacker, D. / Fenalti, G. / Brown, M.A. / Katritch, V. / Abagyan, R. / Cherezov, V. / Stevens, R.C.
|Structure viewer||Molecule: |
Downloads & links
A: Beta-2 adrenergic receptor, Lysozyme
|#1: Protein|| |
Mass: 55957.926 Da / Num. of mol.: 1
Fragment: Chimeric protein of Beta-2 Adrenoreceptor 1-230, Lysozyme 2-161, Beta-2 adrenergic receptor 263-348
Mutation: E122W, N187E, C1054T, C1097A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human), (gene. exp.) Enterobacteria phage T4 (bacteriophage)
Gene: ADRB2, ADRB2R, B2AR, E / Plasmid: PFASTBAC / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): Sf9 / References: UniProt: P07550, UniProt: P00720
|#2: Chemical||#3: Chemical|| ChemComp-JSZ / ||#4: Chemical|| ChemComp-OLC / (||#5: Water|| ChemComp-HOH / |
|Experiment||Method: X-RAY DIFFRACTION / Number of used crystals: 10|
|Crystal||Density Matthews: 2.4 Å3/Da / Density % sol: 48.68 %|
|Crystal grow||Temperature: 293 K|
Details: 100 mM Tris/HCl pH 7.5-8, 5% 1,4 butanediol, 220 mM Na-formate, 27% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K
PH range: 7.5-8.0
|Radiation wavelength||Wavelength: 1.0332 Å / Relative weight: 1|
|Reflection||Resolution: 2.84→40 Å / Num. all: 13388 / Num. obs: 12234 / % possible obs: 91.4 % / Observed criterion σ(I): -3 / Redundancy: 3.84 % / Rsym value: 0.131 / Net I/σ(I): 7.08|
|Reflection shell||Resolution: 2.84→2.98 Å / Redundancy: 2.93 % / Mean I/σ(I) obs: 1.99 / Num. unique all: 1749 / Rsym value: 0.43 / % possible all: 82|
|Refinement||Method to determine structure: MOLECULAR REPLACEMENT|
Starting model: PDB entry 3D4S
Resolution: 2.84→37.77 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.889 / SU B: 19.156 / SU ML: 0.372 / Cross valid method: THROUGHOUT / ESU R Free: 0.446 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
|Solvent computation||Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK|
|Displacement parameters||Biso mean: 58.384 Å2|
|Refinement step||Cycle: LAST / Resolution: 2.84→37.77 Å|
|Refine LS restraints|
|LS refinement shell||Resolution: 2.84→2.913 Å / Total num. of bins used: 20 |
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