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- PDB-5u1x: Crystal structure of the ATP-gated P2X7 ion channel bound to allo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5u1x | |||||||||
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Title | Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist JNJ47965567 | |||||||||
![]() | P2X purinoceptor | |||||||||
![]() | MEMBRANE PROTEIN / membrane protein: ATP-gated ion channel: allosteric antagonist bound: closed state | |||||||||
Function / homology | ![]() NAD transport / phagolysosome assembly / phospholipid transfer to membrane / purinergic nucleotide receptor activity / extracellularly ATP-gated monoatomic cation channel activity / gamma-aminobutyric acid secretion / pore complex assembly / positive regulation of interleukin-1 alpha production / negative regulation of cell volume / plasma membrane organization ...NAD transport / phagolysosome assembly / phospholipid transfer to membrane / purinergic nucleotide receptor activity / extracellularly ATP-gated monoatomic cation channel activity / gamma-aminobutyric acid secretion / pore complex assembly / positive regulation of interleukin-1 alpha production / negative regulation of cell volume / plasma membrane organization / positive regulation of gamma-aminobutyric acid secretion / collagen metabolic process / : / response to fluid shear stress / positive regulation of prostaglandin secretion / T cell apoptotic process / bleb assembly / mitochondrial depolarization / ceramide biosynthetic process / vesicle budding from membrane / positive regulation of T cell apoptotic process / prostaglandin secretion / cellular response to dsRNA / glutamate secretion / positive regulation of glutamate secretion / negative regulation of bone resorption / skeletal system morphogenesis / positive regulation of macrophage cytokine production / phospholipid translocation / negative regulation of MAPK cascade / positive regulation of mitochondrial depolarization / response to ATP / response to zinc ion / T cell homeostasis / synaptic vesicle exocytosis / membrane protein ectodomain proteolysis / protein secretion / positive regulation of bone mineralization / T cell proliferation / response to electrical stimulus / response to mechanical stimulus / extrinsic apoptotic signaling pathway / release of sequestered calcium ion into cytosol / homeostasis of number of cells within a tissue / sensory perception of pain / reactive oxygen species metabolic process / mitochondrion organization / positive regulation of interleukin-1 beta production / positive regulation of protein secretion / lipopolysaccharide binding / protein catabolic process / neuromuscular junction / cell morphogenesis / T cell mediated cytotoxicity / protein processing / response to calcium ion / positive regulation of T cell mediated cytotoxicity / positive regulation of interleukin-6 production / MAPK cascade / cell-cell junction / presynapse / postsynapse / response to lipopolysaccharide / positive regulation of MAPK cascade / defense response to Gram-positive bacterium / response to xenobiotic stimulus / inflammatory response / positive regulation of protein phosphorylation / external side of plasma membrane / neuronal cell body / mitochondrion / ATP binding / identical protein binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Karasawa, A. / Kawate, T. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural basis for subtype-specific inhibition of the P2X7 receptor. Authors: Karasawa, A. / Kawate, T. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 81.5 KB | Display | ![]() |
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PDB format | ![]() | 57.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 976.6 KB | Display | ![]() |
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Full document | ![]() | 982.4 KB | Display | |
Data in XML | ![]() | 14.6 KB | Display | |
Data in CIF | ![]() | 18.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5u1lC ![]() 5u1uC ![]() 5u1vC ![]() 5u1wC ![]() 5u1yC ![]() 5u2hC 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
#1: Protein | Mass: 38716.234 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Both the N- and C-termini are disordered and the electron density was not well-defined. Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
#3: Sugar | #4: Chemical | ChemComp-7RV / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 5.22 Å3/Da / Density % sol: 76.42 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop Details: 100 mM HEPES or Tris (pH 6.0-7.5), 100 mM NaCl, 4% ethylene glycol, 15% glycerol, 27-32% PEG-400 or 31-36% PEG-300, 0.1 mg/mL lipid mixture (60% POPE, 20% POPG, and 20% cholesterol), and 1 mM JNJ-47965567 PH range: 6.0-7.5 |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Jul 10, 2015 | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9774 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||
Reflection | Resolution: 3.1→48.88 Å / Num. obs: 14815 / % possible obs: 100 % / Redundancy: 10.1 % / Biso Wilson estimate: 107.11 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.134 / Net I/σ(I): 12.1 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: _
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Processing
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Refinement | Method to determine structure: ![]() Starting model: A740003 bound P2X7 Resolution: 3.201→48.88 Å / SU ML: 0.48 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.66
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 201.46 Å2 / Biso mean: 103.6362 Å2 / Biso min: 53.9 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 3.201→48.88 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10 / % reflection obs: 100 %
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