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Open data
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Basic information
Entry | Database: PDB / ID: 1vot | ||||||
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Title | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | ||||||
![]() | ACETYLCHOLINESTERASE | ||||||
![]() | HYDROLASE / NEUROTRANSMITTER CLEAVAGE | ||||||
Function / homology | ![]() acetylcholine catabolic process in synaptic cleft / acetylcholinesterase / acetylcholinesterase activity / choline metabolic process / side of membrane / synaptic cleft / synapse / extracellular space / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Raves, M.L. / Harel, M. / Silman, I. / Sussman, J.L. | ||||||
![]() | ![]() Title: Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Authors: Raves, M.L. / Harel, M. / Pang, Y.P. / Silman, I. / Kozikowski, A.P. / Sussman, J.L. #1: ![]() Title: Mechanism of Inhibition of Cholinesterases by Huperzine A Authors: Ashani, Y. / Peggins III, J.O. / Doctor, B.P. #2: ![]() Title: Huperzine A--A Potent Acetylcholinesterase Inhibitor of Use in the Treatment of Alzheimer'S Disease Authors: Geib, S.J. / Tuckmantel, W. / Kozikowski, A.P. #3: ![]() Title: Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein Authors: Sussman, J.L. / Harel, M. / Frolow, F. / Oefner, C. / Goldman, A. / Toker, L. / Silman, I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 115.9 KB | Display | ![]() |
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PDB format | ![]() | 92.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 446.2 KB | Display | ![]() |
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Full document | ![]() | 455.6 KB | Display | |
Data in XML | ![]() | 23.5 KB | Display | |
Data in CIF | ![]() | 33.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2aceC ![]() 1ace 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: 60736.516 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: INTER-MONOMER DISULFIDE BRIDGE Source: (natural) ![]() ![]() Organ: ELECTRIC ORGAN / Variant: G2 FORM / Tissue: ELECTROPLAQUE / References: UniProt: P04058, acetylcholinesterase |
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#2: Chemical | ChemComp-HUP / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.11 Å3/Da / Density % sol: 70.07 % | ||||||||||||||||||||
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Crystal grow | pH: 5.8 / Details: pH 5.8 | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 273 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 1, 1993 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40 Å / Num. obs: 44903 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 5.3 % / Rsym value: 0.096 / Net I/σ(I): 23.7 |
Reflection shell | Resolution: 2.3→2.35 Å / Redundancy: 5.4 % / Mean I/σ(I) obs: 3 / Rsym value: 0.575 / % possible all: 99.6 |
Reflection | *PLUS Num. measured all: 334827 / Rmerge(I) obs: 0.096 |
Reflection shell | *PLUS % possible obs: 99.6 % / Rmerge(I) obs: 0.575 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1ACE ![]() 1ace Resolution: 2.5→8 Å / Rfactor Rfree error: 0.006 / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 23.62 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.61 Å / Rfactor Rfree error: 0.027
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rwork: 0.3 |