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- PDB-6kuy: Crystal structure of the alpha2A adrenergic receptor in complex w... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6kuy | ||||||
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Title | Crystal structure of the alpha2A adrenergic receptor in complex with a partial agonist | ||||||
![]() | Alpha2A adrenergic receptor | ||||||
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Function / homology | ![]() negative regulation of uterine smooth muscle contraction / adenylate cyclase-inhibiting adrenergic receptor signaling pathway / phospholipase C-activating adrenergic receptor signaling pathway / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Qu, L. / Zhou, Q.T. / Wu, D. / Zhao, S.W. | ||||||
![]() | ![]() Title: Crystal structures of the alpha2A adrenergic receptor in complex with a partial agonist Authors: Qu, L. / Zhou, Q.T. / Wu, D. / Zhao, S.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 159.9 KB | Display | ![]() |
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PDB format | ![]() | 124 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2y02S S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 44490.910 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-PEG / ![]() |
#3: Chemical | ChemComp-E39 / ( |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.1 Å3/Da / Density % sol: 70.01 % |
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Crystal grow![]() | Temperature: 293 K / Method: lipidic cubic phase Details: 0.1M HEPES sodium pH 7.4, 310mM Ammonium tartrate dibasic, 36.5% PEG400 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Apr 24, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.2→47.7 Å / Num. obs: 11252 / % possible obs: 90.5 % / Redundancy: 10.7 % / CC1/2: 0.998 / Rmerge(I) obs: 0.1 / Net I/σ(I): 2.1 |
Reflection shell | Resolution: 3.2→3.4 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.55 / Num. unique obs: 11252 / CC1/2: 0.998 / % possible all: 90.5 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 2Y02 Resolution: 3.2→47.62 Å / SU ML: 0.048 / Cross valid method: FREE R-VALUE / σ(F): 1.41 / Phase error: 42.76
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.2→47.62 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.2003→3.5223 Å
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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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