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- PDB-6xys: Update of native acetylcholinesterase from Drosophila Melanogaster -
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Open data
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Basic information
Entry | Database: PDB / ID: 6xys | |||||||||||||||
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Title | Update of native acetylcholinesterase from Drosophila Melanogaster | |||||||||||||||
![]() | Acetylcholinesterase![]() | |||||||||||||||
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Function / homology | ![]() Aspirin ADME / Neurotransmitter clearance / Synthesis of PC / choline catabolic process / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||||||||
Biological species | ![]() ![]() ![]() | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | Nachon, F. / Sussman, J.L. | |||||||||||||||
![]() | ![]() Title: A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of ...Title: A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides. Authors: Nachon, F. / Rosenberry, T.L. / Silman, I. / Sussman, J.L. #1: Journal: Protein Sci. / Year: 2000 Title: Three-dimensional structures of Drosophila melanogaster acetylcholinesterase and of its complexes with two potent inhibitors. Authors: Harel, M. / Kryger, G. / Rosenberry, T.L. / Mallender, W.D. / Lewis, T. / Fletcher, R.J. / Guss, J.M. / Silman, I. / Sussman, J.L. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 279.1 KB | Display | ![]() |
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PDB format | ![]() | 190.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6xyuC ![]() 6xyyC ![]() 1qo9 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: 64654.270 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Polysaccharide | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-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: Chemical | ChemComp-CL / ![]() |
#4: Chemical | ChemComp-ACT / ![]() |
#5: Water | ChemComp-HOH / ![]() |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.83 % |
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Crystal grow![]() | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 13% MPEG2000, 0.1 M ammonium sulfate, 0.03 M leucine, 0.1 M acetate, pH 4.6 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jan 19, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.455→34.18 Å / Num. obs: 26803 / % possible obs: 98.54 % / Redundancy: 6 % / Biso Wilson estimate: 51.47 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.0487 / Rpim(I) all: 0.0184 / Rrim(I) all: 0.0524 / Net I/σ(I): 20.7 |
Reflection shell | Resolution: 2.455→2.543 Å / Rmerge(I) obs: 0.335 / Mean I/σ(I) obs: 3.3 / Num. unique obs: 2542 / CC1/2: 0.939 / CC star: 0.984 / Rpim(I) all: 0.1848 / Rrim(I) all: 0.387 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1qo9 ![]() 1qo9 Resolution: 2.46→34.18 Å / SU ML: 0.4415 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 38.1301
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 79.57 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.46→34.18 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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