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Open data
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Basic information
Entry | Database: PDB / ID: 5ehn | ||||||
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Title | mAChE-syn TZ2PA5 complex | ||||||
![]() | Acetylcholinesterase | ||||||
![]() | HYDROLASE / acetylcholinesterase / inhibitor / click chemistry / triazole | ||||||
Function / homology | ![]() acetylcholine metabolic process / serine hydrolase activity / choline binding / acetylcholine catabolic process / acetylcholine binding / acetylcholinesterase / positive regulation of dendrite morphogenesis / acetylcholine receptor signaling pathway / choline metabolic process / osteoblast development ...acetylcholine metabolic process / serine hydrolase activity / choline binding / acetylcholine catabolic process / acetylcholine binding / acetylcholinesterase / positive regulation of dendrite morphogenesis / acetylcholine receptor signaling pathway / choline metabolic process / osteoblast development / acetylcholinesterase activity / positive regulation of axonogenesis / basement membrane / regulation of receptor recycling / side of membrane / synaptic cleft / laminin binding / collagen binding / synapse assembly / response to insulin / neuromuscular junction / receptor internalization / nuclear envelope / retina development in camera-type eye / presynaptic membrane / positive regulation of cold-induced thermogenesis / postsynaptic membrane / cell adhesion / endoplasmic reticulum lumen / axon / neuronal cell body / synapse / dendrite / perinuclear region of cytoplasm / Golgi apparatus / cell surface / protein homodimerization activity / extracellular space / identical protein binding / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bourne, Y. / Marchot, P. | ||||||
![]() | ![]() Title: Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. Authors: Bourne, Y. / Sharpless, K.B. / Taylor, P. / Marchot, P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 428.6 KB | Display | ![]() |
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PDB format | ![]() | 351.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5ehqC ![]() 5ehzC ![]() 5eiaC ![]() 5eieC ![]() 5eihC ![]() 1j06S 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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Unit cell |
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Components
#1: Protein | Mass: 59764.488 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Sugar | ChemComp-NAG / | #3: Chemical | #4: Chemical | ChemComp-P6G / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.26 Å3/Da / Density % sol: 71.11 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop Details: 25-35%PEG550 MME or PEG600, 60-100 mM sodium acetate PH range: 6.5-8.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jun 10, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→45 Å / Num. obs: 62667 / % possible obs: 98.9 % / Redundancy: 4.1 % / Biso Wilson estimate: 60.93 Å2 / Rsym value: 0.069 / Net I/σ(I): 18.7 |
Reflection shell | Resolution: 2.6→2.74 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.565 / Mean I/σ(I) obs: 3.3 / % possible all: 99.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1j06 Resolution: 2.6→45 Å / Cor.coef. Fo:Fc: 0.9195 / Cor.coef. Fo:Fc free: 0.9134 / SU R Cruickshank DPI: 0.264 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.261 / SU Rfree Blow DPI: 0.194 / SU Rfree Cruickshank DPI: 0.197
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Displacement parameters | Biso mean: 52.47 Å2
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Refine analyze | Luzzati coordinate error obs: 0.315 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: 1 / Resolution: 2.6→45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.67 Å / Total num. of bins used: 20
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Refinement TLS params. | S31: 0.2023 Å ° / Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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