|Entry||Database: PDB / ID: 5wf6|
|Title||Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution|
|Components||Human A2a adenosine receptor T4L chimera|
|Keywords||MEMBRANE PROTEIN / human A2a adenosine receptor / S91A / GPCR-T4L chimera / LCP / agonist / UK432097 / Activation microswitch / allosteric Na-site mutant / GPCR signaling|
|Function / homology|
Function and homology information
positive regulation of acetylcholine secretion, neurotransmission / Adenosine P1 receptors / positive regulation of circadian sleep/wake cycle, sleep / G protein-coupled adenosine receptor activity / negative regulation of alpha-beta T cell activation / sensory perception / regulation of norepinephrine secretion / negative regulation of locomotion / synaptic transmission, dopaminergic / response to purine-containing compound ...positive regulation of acetylcholine secretion, neurotransmission / Adenosine P1 receptors / positive regulation of circadian sleep/wake cycle, sleep / G protein-coupled adenosine receptor activity / negative regulation of alpha-beta T cell activation / sensory perception / regulation of norepinephrine secretion / negative regulation of locomotion / synaptic transmission, dopaminergic / response to purine-containing compound / positive regulation of urine volume / Surfactant metabolism / NGF-independant TRKA activation / biomineralization / positive regulation of renal sodium excretion / response to caffeine / inhibitory postsynaptic potential / protein kinase C-activating G protein-coupled receptor signaling pathway / blood circulation / response to inorganic substance / synaptic transmission, cholinergic / type 5 metabotropic glutamate receptor binding / positive regulation of glutamate secretion / negative regulation of vascular permeability / intermediate filament / eating behavior / membrane depolarization / presynaptic active zone / axolemma / alpha-actinin binding / synaptic transmission, glutamatergic / regulation of calcium ion transport / positive regulation of apoptotic signaling pathway / positive regulation of synaptic transmission, glutamatergic / phagocytosis / endomembrane system / cellular defense response / excitatory postsynaptic potential / prepulse inhibition / astrocyte activation / neuron projection morphogenesis / response to amphetamine / integral component of postsynaptic membrane / viral release from host cell by cytolysis / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / locomotory behavior / regulation of mitochondrial membrane potential / adenylate cyclase-activating G protein-coupled receptor signaling pathway / ADORA2B mediated anti-inflammatory cytokines production / regulation of synaptic vesicle exocytosis / positive regulation of long-term synaptic potentiation / peptidoglycan catabolic process / central nervous system development / positive regulation of synaptic transmission, GABAergic / integral component of presynaptic membrane / positive regulation of protein secretion / G alpha (s) signalling events / vasodilation / negative regulation of protein kinase activity / negative regulation of inflammatory response / negative regulation of cysteine-type endopeptidase activity involved in apoptotic process / cell-cell signaling / blood coagulation / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / cytolysis / negative regulation of neuron apoptotic process / postsynaptic density / response to xenobiotic stimulus / inflammatory response / negative regulation of cell population proliferation / host cell cytoplasm / defense response to bacterium / glutamatergic synapse / neuronal cell body / dendrite / apoptotic process / protein-containing complex binding / regulation of DNA-templated transcription / enzyme binding / integral component of plasma membrane / membrane / identical protein binding / plasma membrane
Similarity search - Function
Adenosine A2A receptor / Adenosine receptor / Serpentine type 7TM GPCR chemoreceptor Srsx / 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) ...Adenosine A2A receptor / Adenosine receptor / Serpentine type 7TM GPCR chemoreceptor Srsx / 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. / G protein-coupled receptor, rhodopsin-like / GPCR, rhodopsin-like, 7TM / Lysozyme-like domain superfamily
Similarity search - Domain/homology
Endolysin / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / Chem-UKA / Adenosine receptor A2a
Similarity search - Component
|Biological species||Homo sapiens (human)|
Enterobacteria phage T4 (bacteriophage)
|Method||X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å|
|Authors||White, K.L. / Eddy, M.T. / Gao, Z. / Han, G.W. / Hanson, M.A. / Lian, T. / Deary, A. / Patel, N. / Jacobson, K.A. / Katritch, V. / Stevens, R.C.|
|Citation||Journal: Structure / Year: 2018|
Title: Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Authors: White, K.L. / Eddy, M.T. / Gao, Z.G. / Han, G.W. / Lian, T. / Deary, A. / Patel, N. / Jacobson, K.A. / Katritch, V. / Stevens, R.C.
|Structure viewer||Molecule: |
Downloads & links
A: Human A2a adenosine receptor T4L chimera
|Details||AUTHORS STATE THAT THE BIOLOGICAL UNIT IS UNKNOWN|
|#1: Protein|| |
Mass: 56540.059 Da / Num. of mol.: 1 / Mutation: R1012G, C1054T, C1097A, I1137R
Source method: isolated from a genetically manipulated source
Details: S91A mutation
Source: (gene. exp.) Homo sapiens (human), (gene. exp.) Enterobacteria phage T4 (bacteriophage)
Gene: ADORA2A, ADORA2 / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): sf9 / References: UniProt: P29274, UniProt: P00720, lysozyme
|#2: Chemical|| ChemComp-UKA / |
|#3: Chemical|| ChemComp-OLC / (|
|#4: Water|| ChemComp-HOH / |
|Experiment||Method: X-RAY DIFFRACTION / Number of used crystals: 1|
|Crystal||Density Matthews: 2.9 Å3/Da / Density % sol: 57.54 %|
|Crystal grow||Temperature: 293 K / Method: lipidic cubic phase|
Details: 100 mM sodium citrate pH 5, 24-27% (v/v) polyethylene glycol (PEG) 400, 30-80 mM MgCl 2 , 5% (v/v) Jeffamine M-600 pH 7 (Hampton)
|Diffraction||Mean temperature: 100 K|
|Diffraction source||Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033 Å|
|Detector||Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 18, 2017|
|Radiation||Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray|
|Radiation wavelength||Wavelength: 1.033 Å / Relative weight: 1|
|Reflection||Resolution: 2.9→44.88 Å / Num. obs: 13000 / % possible obs: 91.9 % / Redundancy: 3.3 % / Rmerge(I) obs: 0.218 / Net I/σ(I): 4.6|
|Reflection shell||Resolution: 2.9→3 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.71 / Mean I/σ(I) obs: 1.3 / % possible all: 74.5|
|Refinement||Method to determine structure: MOLECULAR REPLACEMENT|
Starting model: PDB 3EML
Resolution: 2.9→29.487 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 37.15
|Solvent computation||Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å|
|Refinement step||Cycle: LAST / Resolution: 2.9→29.487 Å|
|Refine LS restraints|
|LS refinement shell|
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