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- PDB-5n2s: Crystal structure of stabilized A1 receptor in complex with PSB36... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5n2s | ||||||
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Title | Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution | ||||||
![]() | Soluble cytochrome b562,Adenosine receptor A1 | ||||||
![]() | MEMBRANE PROTEIN / G-PROTEIN-COUPLED RECEPTOR / INTEGRAL THERMOSTABILIZING MUTATIONS | ||||||
Function / homology | ![]() positive regulation of nucleoside transport / negative regulation of neurotrophin production / regulation of glomerular filtration / negative regulation of circadian sleep/wake cycle, non-REM sleep / positive regulation of peptide secretion / negative regulation of mucus secretion / purine nucleoside binding / negative regulation of glutamate secretion / negative regulation of long-term synaptic depression / negative regulation of hormone secretion ...positive regulation of nucleoside transport / negative regulation of neurotrophin production / regulation of glomerular filtration / negative regulation of circadian sleep/wake cycle, non-REM sleep / positive regulation of peptide secretion / negative regulation of mucus secretion / purine nucleoside binding / negative regulation of glutamate secretion / negative regulation of long-term synaptic depression / negative regulation of hormone secretion / positive regulation of lipid catabolic process / negative regulation of synaptic transmission, GABAergic / heterotrimeric G-protein binding / Adenosine P1 receptors / mucus secretion / G protein-coupled adenosine receptor activity / regulation of respiratory gaseous exchange by nervous system process / negative regulation of leukocyte migration / regulation of presynaptic cytosolic calcium ion concentration / regulation of sensory perception of pain / response to purine-containing compound / positive regulation of systemic arterial blood pressure / positive regulation of potassium ion transport / negative regulation of synaptic transmission, glutamatergic / negative regulation of systemic arterial blood pressure / regulation of cardiac muscle cell contraction / triglyceride homeostasis / protein targeting to membrane / long-term synaptic depression / temperature homeostasis / leukocyte migration / presynaptic active zone / calyx of Held / detection of temperature stimulus involved in sensory perception of pain / negative regulation of acute inflammatory response / negative regulation of long-term synaptic potentiation / asymmetric synapse / axolemma / : / fatty acid homeostasis / negative regulation of lipid catabolic process / phagocytosis / lipid catabolic process / positive regulation of protein dephosphorylation / heat shock protein binding / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / excitatory postsynaptic potential / G protein-coupled receptor binding / apoptotic signaling pathway / electron transport chain / G-protein beta/gamma-subunit complex binding / terminal bouton / cognition / vasodilation / cell-cell signaling / presynaptic membrane / nervous system development / G alpha (i) signalling events / basolateral plasma membrane / postsynaptic membrane / positive regulation of MAPK cascade / dendritic spine / periplasmic space / electron transfer activity / response to hypoxia / inflammatory response / iron ion binding / G protein-coupled receptor signaling pathway / protein heterodimerization activity / negative regulation of cell population proliferation / neuronal cell body / synapse / dendrite / heme binding / negative regulation of apoptotic process / signal transduction / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cheng, R.K.Y. / Segala, E. / Robertson, N. / Deflorian, F. / Dore, A.S. / Errey, J.C. / Fiez-Vandal, C. / Marshall, F.H. / Cooke, R.M. | ||||||
![]() | ![]() Title: Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Authors: Cheng, R.K.Y. / Segala, E. / Robertson, N. / Deflorian, F. / Dore, A.S. / Errey, J.C. / Fiez-Vandal, C. / Marshall, F.H. / Cooke, R.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 169.7 KB | Display | ![]() |
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PDB format | ![]() | 134.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 697.9 KB | Display | ![]() |
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Full document | ![]() | 701.2 KB | Display | |
Data in XML | ![]() | 15.6 KB | Display | |
Data in CIF | ![]() | 20.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5mzjC ![]() 5mzpC ![]() 5n2rC ![]() 5iu4S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 48445.855 Da / Num. of mol.: 1 Mutation: A57L, T91A, N159A, Y205A, L236A, L240A, T277A, C309S,A57L, T91A, N159A, Y205A, L236A, L240A, T277A, C309S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Gene: cybC, ADORA1 / Plasmid: PFAST-BAC / Production host: ![]() | ||
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#2: Chemical | ChemComp-8K8 / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.72 Å3/Da / Density % sol: 66.92 % / Description: PLATES |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase / pH: 7.5 Details: 0.1M SODIUM / POTASSIUM PHOSPHATE PH 7.5, 0.2M LITHIUM SULPHATE, 37.5% (W/V) PEG400 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 30, 2016 / Details: (DOUBLE) KB MIRROR PAIR |
Radiation | Monochromator: DOUBLE SI(111) CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.96863 Å / Relative weight: 1 |
Reflection | Resolution: 3.303→160.6 Å / Num. obs: 9824 / % possible obs: 97.8 % / Redundancy: 5.1 % / CC1/2: 0.997 / Rmerge(I) obs: 0.137 / Net I/σ(I): 7.9 |
Reflection shell | Resolution: 3.303→3.57 Å / Redundancy: 5.2 % / Rmerge(I) obs: 0.887 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 1930 / CC1/2: 0.782 / % possible all: 98.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5IU4 Resolution: 3.303→32.891 Å / SU ML: 0.42 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 31.76
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.303→32.891 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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